AG008MLV

78471-43-9 | Methyl 4-bromo-2-bromomethylbenzoate

AG008MLV

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CAS Number	78471-43-9
Catalog Number	AG008MLV(AGN-PC-03JD32)
Chemical Name	Methyl 4-bromo-2-bromomethylbenzoate
IUPAC Name	methyl 4-bromo-2-(bromomethyl)benzoate
InChI	InChI=1S/C9H8Br2O2/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h2-4H,5H2,1H3
InChI Key	SGFACFBLUAWICV-UHFFFAOYSA-N
MDL Number	MFCD04114319
Molecular Formula	C9H8Br2O2
Molecular Weight	307.9666
SMILES	BrC1=CC(=C(C(=O)OC)C=C1)CBr
Synonyms	78471-43-9, Methyl 4-bromo-2-bromomethylbenzoate, Methyl 4-bromo-2-(bromomethyl)benzoate, METHYL 4-BROMO-2-BROMOMETHYL-BENZOATE, 4-Bromo-2-bromomethylbenzoic acid methyl ester, 4-Bromo-2-bromomethyl-benzoic acid methyl ester, MFCD04114319, 4-BROMO-2-(BROMOMETHYL)BENZOIC ACID METHYL ESTER, BENZOIC ACID, 4-BROMO-2-(BROMOMETHYL)-, METHYL ESTER, ACMC-209pec, SCHEMBL275285, CTK5E5818, KS-00000BXI, DTXSID50621805, methyl alpha,5-dibromo-o-toluate, SGFACFBLUAWICV-UHFFFAOYSA-N, CS-D0141, EBD18135, methyl 4bromo-2-bromomethylbenzoate, ZINC2599125, ANW-37186, CM-243, Methyl 2-bromomethyl-4-bromobenzoate, Methyl4-bromo-2(bromomethyl)benzoate, AKOS014098310, Methyl4-Bromo-2-(bromomethyl)benzoate, AB18064, AN-4364, CM12454, GS-4092, Methyl-4-bromo-2-(bromomethyl)benzoate, methyl 4-bromo-2-(bromomethyl)-benzoate, AC-29639, AJ-43869, AK-26333, AM804357, BR-26333, DA-19673, SC-14425, SY039109, AB0026720, ST2413393, TR-025104, 4CH-012688, FT-0646552, M2941, W8449, MFCD04114319 (97%), Z-4982, 4-Bromo-2-bromomethylbenzoic acid, methyl ester, 471M439, Methyl 4-bromo-2-(bromomethyl)benzoate, AldrichCPR, S01-0243, Benzoic acid,4-bromo-2-(bromomethyl)-, methyl ester, C9H8Br2O2, Methyl4-bromo-2-bromomethylbenzoate, ACN-051589, C2391, A15808,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.887g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.969g/mol
Monoisotopic Mass	305.889g/mol
Rotatable Bond Count	3
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	8
Hazard statements	H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

Lot Number