AG001LE1

149104-89-2 | Benzenemethanol, 4-bromo-3-methyl-

AG001LE1

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CAS Number	149104-89-2
Catalog Number	AG001LE1(AGN-PC-0NDZPP)
Chemical Name	Benzenemethanol, 4-bromo-3-methyl-
IUPAC Name	(4-bromo-3-methylphenyl)methanol
InChI	InChI=1S/C8H9BrO/c1-6-4-7(5-10)2-3-8(6)9/h2-4,10H,5H2,1H3
InChI Key	HBSHHYYUASJVCG-UHFFFAOYSA-N
MDL Number	MFCD09264005
Molecular Formula	C8H9BrO
Molecular Weight	201.0605
SMILES	OCC1=CC=C(Br)C(C)=C1
Synonyms	(4-BROMO-3-METHYLPHENYL)METHANOL, 149104-89-2, 4-Bromo-3-methylbenzyl alcohol, 4-Bromo-5-methylbenzylalcohol, BENZENEMETHANOL, 4-BROMO-3-METHYL-, ACMC-209d1r, 4-bromo-3-methylbenzylalcohol, SCHEMBL307493, 2-bromo-5-hydroxymethyltoluene, 2-bromo-5-hydroxylmethyltoluene, 4-Bromo-3-methylbenzenemethanol, CTK4C6040, DTXSID40450863, HBSHHYYUASJVCG-UHFFFAOYSA-N, BCP21759, ANW-21181, MFCD09264005, ZINC34590133, AKOS015151334, AB50387, QC-9989, RP25838, TRA-0181921, AJ-89580, AK-86221, DS-18143, SC-29924, SY025541, AB0022395, DB-010003, TX-011237, B5285, CS-0042936, FT-0764799, ST24026261, W3250, (4-Bromo-3-methylphenyl)methanol, AldrichCPR, A-3005, MFCD09264005 (97+%), J-501368, I01-10791, Z2168499578, methanol, C8H9BrO, (4-bromo-3-methyl-phenyl)methanol, CID10987288, 1020719-61-2,

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	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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