AG0002UJ

100760-04-1 | Benzenemethanol, 4-bromo-α-methyl-, (αS)-

AG0002UJ

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CAS Number	100760-04-1
Catalog Number	AG0002UJ(AGN-PC-0OQ0I2)
Chemical Name	Benzenemethanol, 4-bromo-α-methyl-, (αS)-
IUPAC Name	(1S)-1-(4-bromophenyl)ethanol
InChI	InChI=1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1
InChI Key	XTDTYSBVMBQIBT-LURJTMIESA-N
MDL Number	MFCD06201860
Molecular Formula	C8H9BrO
Molecular Weight	201.0605
SMILES	C[C@H](O)C1=CC=C(Br)C=C1
Synonyms	(S)-1-(4-Bromophenyl)ethanol, 100760-04-1, (1S)-1-(4-bromophenyl)ethan-1-ol, (1S)-1-(4-bromophenyl)ethanol, (S)-4-Bromo-alpha-methylbenzyl alcohol, (S)-4-Bromo-|A-methylbenzyl alcohol, PubChem14253, AC1Q29MW, AC1MC262, SCHEMBL3889506, CTK5J1387, KS-00000LNA, (s)-1-(4-bromophenyl)-ethanol, XTDTYSBVMBQIBT-LURJTMIESA-N, ZINC388277, Benzenemethanol, 4-bromo-a-methyl-, (S)-1-(4-bromophenyl)ethan-1-ol, ANW-48570, MFCD06201860, SBB064274, AKOS015835324, AC-9532, CB-1874, CS-W015566, (S)-4'-CHLORO-1-PHENYLETHANOL, AJ-20524, AN-34366, BC003833, BR-79189, CJ-03182, DS-17625, ZB011398, AB0034382, AB1006332, DB-005548, ST2414532, TC-063507, TR-002187, AM20020074, FT-0081017, FT-0651014, X8527, EN300-56125, (S)-4-Bromo-alpha-methylbenzyl alcohol, 95%, S-7058, 760B041, A800271, Benzenemethanol, 4-bromo-alpha-methyl-, (alphaS)-, I01-4526, J-000218, (S)-4 inverted exclamation marka-Bromo-1-phenylethanol, Z1696267968, (S)-1-(4-Bromophenyl)ethanol; (S)-4 inverted exclamation marka-Bromo-1-phenylethanol, C8H9BrO, 1-(4-Bromophenyl)ethanol, (S)-1-(4-Chlorophenyl)ethanol, NSC3223, (1S)-1-(4-chlorophenyl)ethanol, CID2734890, (1S)-1-(4-CHLOROPHENYL)ETHAN-1-OL, (S)-4-CHLORO-ALPHA-METHYLBENZYL ALCOHOL, (S)-4-Bromo-alpha-methylbenzyl alcohol, 97% - 1g 1g, 5391-88-8,

Complexity	97.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335-H402
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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