AG003572

2417-72-3 | Methyl 4-(bromomethyl)benzoate

AG003572

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CAS Number	2417-72-3
Catalog Number	AG003572(AGN-PC-0JNTMM)
Chemical Name	Methyl 4-(bromomethyl)benzoate
EC Number	607-335-7
IUPAC Name	methyl 4-(bromomethyl)benzoate
InChI	InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
InChI Key	NLWBJPPMPLPZIE-UHFFFAOYSA-N
MDL Number	MFCD00032453
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
NSC Number	83959
SMILES	BrCC1=CC=C(C(=O)OC)C=C1
Synonyms	Methyl 4-(bromomethyl)benzoate, 2417-72-3, 4-bromomethylbenzoic acid methyl ester, Methyl 4-bromomethylbenzoate, 4-(Bromomethyl)benzoic Acid Methyl Ester, methyl4-(bromomethyl)benzoate, Benzoic acid, 4-(bromomethyl)-, methyl ester, 4-Bromomethyl benzoic acid methyl ester, p-(Methoxycarbonyl)benzyl bromide, MFCD00032453, methyl p-(bromomethyl)benzoate, methyl-4-(bromomethyl)benzoate, 4-bromomethyl-benzoic acid methyl ester, 4-carbomethoxybenzyl bromide, Methyl alpha-Bromo-p-toluate, methyl 4-bromomethyl benzoate, methyl 4-(bromomethyl) benzoate, 4-(Methoxycarbonyl)benzyl bromide, NLWBJPPMPLPZIE-UHFFFAOYSA-N, Methyl 4-(bromomethyl)benzoate, 98%, alpha-Bromo-p-toluic Acid Methyl Ester, Benzoic acid,4-(bromomethyl)-,methylester, PubChem13652, ACMC-209g9k, AC1L5V5F, AC1Q27OW, methyl-4-bromomethylbenzoate, (4-carbmethoxy)benzylbromide, DSSTox_CID_29366, DSSTox_RID_83481, NCIOpen2_004628, DSSTox_GSID_49406, SCHEMBL33494, methyl-4(bromomethyl)benzoate, KSC497I9D, (4-carbmethoxy) benzylbromide, p-methoxycarbonylbenzyl bromide, 4-methoxycarbonylbenzyl bromide, Methy 4-(Bromomethyl)Benzoate, methyl (4-bromomethyl)benzoate, AC1Q438C, methy 4-(bromomethyl) benzoate, methyl 4-(bromomethy) benzoate, Methyl 4-(bromomethy)-benzoate, 4-methoxycarbonyl-benzyl bromide, CHEMBL3183843, DTXSID4049406, methyl (4-bromomethyl) benzoate, methyl 4- (bromomethyl)benzoate, methyl 4-(bromomethyl)-benzoate, methyl-4-(bromomethyl)-benzoate, CTK3J7491, KS-00000NER, Methyl 4-(bromo-methyl)benzoate, 4-methoxy carbonyl benzyl bromide, ZINC165422, 4-(bromomethyl)benzoic acid methyl, ACT01178, ALBB-017948, NSC83959, STR03614, Tox21_202815, ANW-25350, BBL013451, FC0754, NSC-83959, SBB054899, STK397278, [4-(methoxycarbonyl)-benzyl]-bromide, p-bromomethylbenzoic acid methyl ester, 4bromomethyl-benzoic acid methyl ester, AKOS000119636, AC-4378, AS02422, CS-W008845, LS10680, MCULE-3814998120, RP27801, RTC-062099, TRA0034899, VZ28612, NCGC00260361-01, NCGC00320831-01, AJ-16392, AN-12058, BC003784, BC204605, BR-25650, CJ-02281, SC-15852, ZB008471, 4-(bromo-methyl)benzoic acid methyl ester, 4-(bromomethyl)benzoic acid, methyl ester, CAS-2417-72-3, 4-(bromo-methyl)-benzoic acid methyl ester, AB0005868, AB1000390, DB-046367, TC-062099, TL8001989, AM20030428, BB 0258786, FT-0082966, FT-0616713, ST24033248, M-1854, AB01315911-02, 128789-EP2284157A1, 128789-EP2295429A1, 135229-EP2272817A1, 135229-EP2292228A1, 417M723, I01-0354, Q-102004, F1019-0028, InChI=1/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H, Methyl4- benzoate, C9H9BrO2, AR-1J6639, CID256687, B2053, Methyl 4-(bromomethyl)benzoate, 98% - 25G 25g, 279215-43-9,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.073g/mol
Monoisotopic Mass	227.979g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H311-H314-H317-H334-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

Lot Number