AG003F00

7115-89-1 | 2-(Bromomethyl)benzoic acid

AG003F00

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CAS Number	7115-89-1
Catalog Number	AG003F00(AGN-PC-0JMH88)
Chemical Name	2-(Bromomethyl)benzoic acid
IUPAC Name	2-(bromomethyl)benzoic acid
InChI	InChI=1S/C8H7BrO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2,(H,10,11)
InChI Key	QSLMPDKYTNEMFQ-UHFFFAOYSA-N
MDL Number	MFCD00090420
Molecular Formula	C8H7BrO2
Molecular Weight	215.0440
NSC Number	403995
SMILES	O=C(O)C1=CC=CC=C1CBr
Synonyms	2-(bromomethyl)benzoic acid, 7115-89-1, 2-Bromomethyl-1-benzoic acid, 2-Bromomethylbenzoic acid, 2-Bromomethyl-benzoic acid, 786593-22-4, ALPHA-BROMO-O-TOLUIC ACID, QSLMPDKYTNEMFQ-UHFFFAOYSA-N, MFCD00090420, 2-(Bromomethyl)benzoic pound inverted question markacid, NSC403995, a-bromo-o-toluic acid, PubChem23937, o-bromomethylbenzoic acid, SCHEMBL445508, 2-CARBOXYBENZYL BROMIDE, AC1L840E, AMBZ0163, CTK2H6906, ZINC35770, BCP10958, SBB052679, STK301621, AKOS002846193, AM83022, MCULE-3916838805, NSC-403995, RP26861, TRA0066405, AC-25720, AJ-08627, AN-27391, AS-48906, BC004991, BC207323, BR-36179, QC-10287, SC-13945, ST005546, AB0028109, DB-000120, ST2416172, TC-071284, TL8005004, TR-023445, 4CH-015066, FT-0688016, X0137, A22456, S-5402, I01-7399, J-506271, F1962-0001, alpha-Bromotoluic acid, 2- BENZOICACID, C8H7BrO2, CID346003, ACN-031590, 2-(Bromomethyl)benzoic acid, 97% 10g, 2-Bromomethyl-benzoic acid, 97% - 25G 25g,

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	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P309-P310
UN Code	UN 3261

Certificate of Analysis

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