AG00ECNT

6515-58-8 | 3-(Bromomethyl)benzoic acid

AG00ECNT

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CAS Number	6515-58-8
Catalog Number	AG00ECNT(AGN-PC-0JOIR9)
Chemical Name	3-(Bromomethyl)benzoic acid
IUPAC Name	3-(bromomethyl)benzoic acid
InChI	InChI=1S/C8H7BrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
InChI Key	FTPAHNNMUYOHOB-UHFFFAOYSA-N
MDL Number	MFCD00045839
Molecular Formula	C8H7BrO2
Molecular Weight	215.0440
NSC Number	57780
SMILES	O=C(O)C1=CC=CC(CBr)=C1
Synonyms	3-(bromomethyl)benzoic acid, 6515-58-8, 3-Bromomethyl-benzoic acid, 3-Bromomethylbenzoic acid, Benzoic acid, 3-(bromomethyl)-, 3-BromomethylbenzoicAcid, m-bromomethylbenzoic acid, m-CARBOXYBENZYL BROMIDE, FTPAHNNMUYOHOB-UHFFFAOYSA-N, 3-(bromomethyl)benzoicacid, PubChem9744, AC1L6GCB, alpha-bromo-m-toluic acid, ACMC-1B9HW, 3-bromomethyl benzoic acid, AC1Q27OG, SCHEMBL40393, CHEMBL66281, 3-CARBOXYBENZYL BROMIDE, AC1Q72Z3, AMBZ0164, CTK3J3307, DTXSID70288838, ALBB-003892, NSC57780, ZINC4203943, ANW-34995, BBL104328, MFCD00045839, NSC-57780, SBB021962, STK349598, AKOS000321227, AM85864, AN-5857, CS-W007696, MCULE-9222432852, RP26862, RTR-033251, TRA0062677, WT82014, KS-00000L04, 3-(Bromomethyl)benzoic acid, AldrichCPR, AC-25721, AJ-48666, AK-35991, BC003476, BS-13385, SC-06069, SY018871, AB0028174, DB-000172, ST2417389, TL8004618, TR-033251, 4CH-013913, BB 0240491, FT-0636170, FT-0650186, M6348, R1770, X0219, EN300-11618, MFCD00045839 (95%), B64514, 515B588, J-512115, 3- benzoicacid, C8H7BrO2, AR-1E7408, CID245650, 7341-96-0,

Complexity	147
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	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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