AG005W1F

74597-04-9 | 3-(Bromomethyl)phenol

AG005W1F

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CAS Number	74597-04-9
Catalog Number	AG005W1F(AGN-PC-00NS9E)
Chemical Name	3-(Bromomethyl)phenol
IUPAC Name	3-(bromomethyl)phenol
InChI	InChI=1S/C7H7BrO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5H2
InChI Key	JHQONOCFAYZOEQ-UHFFFAOYSA-N
MDL Number	MFCD08234655
Molecular Formula	C7H7BrO
Molecular Weight	187.0339
SMILES	BrCC=1C=C(C=CC1)O
Synonyms	3-(BROMOMETHYL)PHENOL, 74597-04-9, 3-bromomethylphenol, Phenol, 3-(bromomethyl)-, JHQONOCFAYZOEQ-UHFFFAOYSA-N, m-bromomethylphenol, 3-Bromomethyphenol, 3-bromomethyl-phenol, 3-[(Bromo)methyl]phenol, SCHEMBL434200, 3-HYDROXYBENZYL BROMIDE, CTK8B6884, DTXSID20548111, ANW-54752, MFCD08234655, ZINC34140153, AKOS005166848, CS-W005909, MB05606, RP03480, AJ-87131, AK-99880, AN-17079, DS-17685, QC-11136, SC-21513, DB-008241, TC-143497, FT-0600057, ST24041557, Y9989, J-510827, C7H7BrO, ACN-052922, 2-Methoxy-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine,

Complexity	85
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.968g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.036g/mol
Monoisotopic Mass	185.968g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319
Packing Group	Ⅱ
Precautionary statements	P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

Lot Number