AG007NIZ

258886-04-3 | BENZENEMETHANOL, 5-BROMO-2-METHYL-

AG007NIZ

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CAS Number	258886-04-3
Catalog Number	AG007NIZ(AGN-PC-00KDHJ)
Chemical Name	BENZENEMETHANOL, 5-BROMO-2-METHYL-
IUPAC Name	(5-bromo-2-methylphenyl)methanol
InChI	InChI=1S/C8H9BrO/c1-6-2-3-8(9)4-7(6)5-10/h2-4,10H,5H2,1H3
InChI Key	CXASFBKJNJSOAI-UHFFFAOYSA-N
MDL Number	MFCD12031921
Molecular Formula	C8H9BrO
Molecular Weight	201.0605
SMILES	OCc1cc(Br)ccc1C
Synonyms	258886-04-3, (5-BROMO-2-METHYLPHENYL)METHANOL, 5-bromo-2-methylbenzyl alcohol, BENZENEMETHANOL, 5-BROMO-2-METHYL-, 5-bromo-2-methylbenzylalcohol, (5-Bromo-2-methyl-phenyl)-methanol, 5-bromo-2-methylbenzenemethanol, SCHEMBL606473, CTK4F6670, KS-00003TGA, DTXSID10514547, CXASFBKJNJSOAI-UHFFFAOYSA-N, Benzenemethanol,5-bromo-2-methyl-, MFCD12031921, ZINC39366544, AKOS014642054, CS-W000524, TS-02855, FT-0734162, Z0434, F10103, Q-7409, C8H9BrO,

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
UN Code

Certificate of Analysis

Lot Number