AG00IB0G

6232-88-8 | Benzoic acid, 4-(bromomethyl)-

AG00IB0G

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CAS Number	6232-88-8
Catalog Number	AG00IB0G(AGN-PC-0JKGK5)
Chemical Name	Benzoic acid, 4-(bromomethyl)-
EC Number	228-343-3
IUPAC Name	4-(bromomethyl)benzoic acid
InChI	InChI=1S/C8H7BrO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)
InChI Key	CQQSQBRPAJSTFB-UHFFFAOYSA-N
MDL Number	MFCD00002567
Molecular Formula	C8H7BrO2
Molecular Weight	215.0440
NSC Number	56891
SMILES	O=C(O)C1=CC=C(CBr)C=C1
Synonyms	4-(bromomethyl)benzoic acid, 4-(BROMOMETHYL)BENZOIC ACID, 6232-88-8, 4-Bromomethylbenzoic acid, alpha-Bromo-p-toluic acid, Benzoic acid, 4-(bromomethyl)-, p-(Bromomethyl)benzoic acid, 4-Carboxybenzyl bromide, 4-bromomethyl benzoic acid, 4-Bromomethyl-benzoic acid, A-BROMO-P-TOLUIC ACID, p-Carboxybenzyl bromide, p-bromomethylbenzoic acid, MFCD00002567, p-(bromomethyl)-benzoic acid, .alpha.-Bromo-p-toluic acid, p-Toluic acid, .alpha.-bromo-, CQQSQBRPAJSTFB-UHFFFAOYSA-N, alpha-Bromo-p-toluic acid, 97%, p-Toluic acid, alpha-bromo-, EINECS 228-343-3, NSC 56891, 4-carboxybenzylbromide, AC1L2KOH, p-Bromomethyl benzoic acid, alpha-bromo-4-toluic acid, ACMC-209n2a, 4-(Bromomethyl)benzoicAcid, alpha-bromo-4-toluoic acid, (4-bromomethyl)benzoic acid, AKOS BB561, Eprosartan related compound D, 4-(bromomethyl) benzoic acid, 4-(bromomethyl)-benzoic acid, SCHEMBL220750, AMBZ0165, CHEMBL101846, .alpha.-Bromo-para-toluic acid, RARECHEM AL BO 0068, DTXSID7064154, CTK3J8023, TIMTEC-BB SBB042644, ZINC35771, P-(BROMOETHYL)BENZOIC ACID, ALPHA-BROMO-P-TOLUYLIC ACID, AC1Q7380, ALBB-017953, CS-B1333, KS-00000CE6, NSC56891, STR04677, 4-(Bromomethyl)benzoic acid, 97%, AKOS BBS-00006715, ANW-34160, BBL008786, KM0601, NSC-56891, SBB042644, STK318250, AKOS000103789, AC-1221, AM85852, AS00835, CM10952, MCULE-2357888099, RP26870, RTR-021429, TRA0051788, AJ-08628, AN-15113, BC211697, BP-13470, SC-22601, ST005547, AB1003679, DB-013437, TL8004111, TR-021429, B0845, FT-0616712, ST24043053, EN300-09230, A25112, 232B888, I01-0095, J-650290, W-105008, F0001-2461, Eprosartan Related Compound D, United States Pharmacopeia (USP) Reference Standard, alpha-Bromotoluic acid, a-bromotoluic acid, C8H7BrO2, ?-Bromo-p-toluic acid, 4-Bromomethylbenzoicacid, |A-Bromo-p-toluic acid, (Bromomethyl)benzoic acid, C8-H7-Br-O2, CID22599, alpha-Bromo-p-toluic acid, 97% - 10G 10g,

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	1
Isotope Atom Count	0
Molecular Weight	215.046g/mol
Monoisotopic Mass	213.963g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

Lot Number