AG00357E

619-42-1 | Methyl 4-bromobenzoate

AG00357E

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CAS Number	619-42-1
Catalog Number	AG00357E(AGN-PC-07H7UN)
Chemical Name	Methyl 4-bromobenzoate
EC Number	210-596-6
IUPAC Name	methyl 4-bromobenzoate
InChI	InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI Key	CZNGTXVOZOWWKM-UHFFFAOYSA-N
MDL Number	MFCD00013531
Molecular Formula	C8H7BrO2
Molecular Weight	215.0440
NSC Number	9392
SMILES	O=C(OC)c1ccc(cc1)Br
UNII	UB1YSJ5XAR
Synonyms	Methyl 4-bromobenzoate, 619-42-1, Benzoic acid, 4-bromo-, methyl ester, METHYL P-BROMOBENZOATE, 4-Bromobenzoic Acid Methyl Ester, p-Bromobenzoic acid, methyl ester, UNII-UB1YSJ5XAR, UB1YSJ5XAR, Benzoic acid, p-bromo-, methyl ester, Methyl 4-bromobenzoate, 99%, CZNGTXVOZOWWKM-UHFFFAOYSA-N, MFCD00013531, F3095-4305, NSC 9392, EINECS 210-596-6, PubChem3962, methyl-4-Bromobenzoate, Methyl p-bromo benzoate, methyl 4-bromo-benzoate, AC1L1YSX, methyl 4-bromanylbenzoate, Maybridge3_003726, Methyl-4- bromobenzoate,, ACMC-209my0, SCHEMBL7623, KSC493E7L, 4-bromobenzoicacid methyl ester, AC1Q434L, RARECHEM AL BF 0075, DTXSID7060702, p-Bromobenzoic acid methyl ester, CTK3J3275, ZINC55169, methyl 4-bromobenzoate (4-bromobenzoic acid methyl ester), NSC9392, 4-bromo benzoic acid methyl ester, 4-Bromo-benzoic acid methyl ester, 4-Bromobenzoic acid, methyl ester, HMS1441J08, WT317, ACT01175, EBD15426, NSC-9392, 619-42-1 methyl 4-bromobenzoate, ANW-34006, SBB063144, AKOS002264647, AS03617, CCG-252688, CS-W004846, GS-3045, MCULE-4972999243, RP26874, RTC-060634, TRA0068484, IDI1_015113, KS-000002Q8, AC-19470, AJ-09215, AK-47340, AN-46659, BC002677, BC215377, BR-47340, CJ-00331, SC-05797, ST002871, SY001702, TL806189, ZB001599, 4-bromo-phenyl carboxylic acid methyl ester, AB1008132, ST2413401, TC-060634, AM20060697, B0556, FT-0617866, Benzoic acid, p-bromo-, methyl ester (8CI), MFCD00013531 (98%), 19M421, A-3160, 104706-EP2298312A1, 104706-EP2301909A1, A833495, AE-848/01025045, I01-0582, W-105074, Z19682625, InChI=1/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H, null, Methyl4-bromobenzoate, C8H7BrO2, Benzoic acid, methyl ester, 4-BROMOPHENYLACETONE, ETHYL CARBONOCYANIDATE, C8-H7-Br-O2, 1-(4-bromophenyl)propan-2-one, CID12081, 2-Amino-4-hydroxy-6-methylpyrimidine, ACN-001304, Methyl 4-bromobenzoate, 99% - 25G 25g, A8567, 6186-22-7, 623-49-4,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.046g/mol
Monoisotopic Mass	213.963g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number