AG00EKPF

648439-19-4 | (3-Bromo-5-methylphenyl)methanol

AG00EKPF

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CAS Number	648439-19-4
Catalog Number	AG00EKPF(AGN-PC-03XNZO)
Chemical Name	(3-Bromo-5-methylphenyl)methanol
IUPAC Name	(3-bromo-5-methylphenyl)methanol
InChI	InChI=1S/C8H9BrO/c1-6-2-7(5-10)4-8(9)3-6/h2-4,10H,5H2,1H3
InChI Key	BDWFMACVHHSBRM-UHFFFAOYSA-N
MDL Number	MFCD27948190
Molecular Formula	C8H9BrO
Molecular Weight	201.0605
SMILES	OCC1=CC(C)=CC(Br)=C1
Synonyms	(3-Bromo-5-methylphenyl)methanol, 648439-19-4, 3-bromo-5-methylbenzyl alcohol, Benzenemethanol, 3-bromo-5-methyl-, SCHEMBL378719, CTK2A2412, DTXSID50629321, BDWFMACVHHSBRM-UHFFFAOYSA-N, MFCD18204791, ZINC90727529, AKOS022176230, DS-7705, SY030661, AJ-129166, V7111, MFCD18204791 (95%), Z-2851, C8H9BrO, 3-bromo-5-methylBenzenemethanol,

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

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