AG003CWI

52780-14-0 | 3-Bromo-alpha-methylbenzyl alcohol

AG003CWI

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CAS Number	52780-14-0
Catalog Number	AG003CWI(AGN-PC-0JM31H)
Chemical Name	3-Bromo-alpha-methylbenzyl alcohol
EC Number	258-177-7
IUPAC Name	1-(3-bromophenyl)ethanol
InChI	InChI=1S/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3
InChI Key	ULMJQMDYAOJNCC-UHFFFAOYSA-N
MDL Number	MFCD00021863
Molecular Formula	C8H9BrO
Molecular Weight	201.0605
NSC Number	143363
SMILES	CC(O)C1=CC=CC(Br)=C1
Synonyms	1-(3-bromophenyl)ethanol, 52780-14-0, 3-Bromo-alpha-methylbenzyl alcohol, 3-Bromo-alpha-methylbenzene alcohol, 1-(3-bromophenyl)ethan-1-ol, 3-Bromophenyl methyl carbinol, 1-(3'-bromophenyl)-1-hydroxyethane, 3-Bromo-A-methylbenzyl alcohol, 5395-85-7, ULMJQMDYAOJNCC-UHFFFAOYSA-N, EINECS 258-177-7, NSC143363, 3-bromophenyl-ethanol, AC1Q2BSE, 1-(3-bromophenyl)-ethanol, 1-(3-bromo-phenyl)-ethanol, SCHEMBL343476, AC1Q25T5, AKOS BBV-004344, m-bromo-alpha-methylbenzylalcohol, 3-Bromo-|A-methylbenzyl alcohol, CTK8D7418, OTAVA-BB 1786450, Benzenemethanol,3-bromo-a-methyl-, AC1L4077, 7463AB, MFCD00021863, AKOS000125402, AKOS016843873, AM87036, AS03464, MCULE-5873283997, NSC-143363, TRA0032481, VZ26484, KS-000008X8, 3-Bromo-alpha-methylbenzyl alcohol, 97%, AK-58281, Benzenemethanol, 3-bromo-.alpha.-methyl-, CS-11083, SC-27577, SY005048, SY107032, AB0051779, TC-275100, FT-0640104, ST51041413, MFCD00021863 (98%), MFCD06658929 (95%), Z-3892, A829250, S01-0009, W-105796, C8H9BrO, C(C)(O)c1cccc(Br)c1, 3-Bromo methylbenzyl alcohol, C8-H9-Br-O, (S)-1-(3-BROMOPHENYL)ETHANOL, (1R)-1-(3-bromophenyl)ethanol, (1S)-1-(3-bromophenyl)ethanol, KST-1B5041, CID98479, (R)-3-Bromo-alpha-methylbenzyl alcohol, AR-1B1345, 3-BROMO-ALPHA-METHYLBENZYLALCOHOL, 134615-22-8, 134615-24-0, 58108-05-7, 82072-22-8,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.984g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.063g/mol
Monoisotopic Mass	199.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
UN Code	UN 1987

Certificate of Analysis

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