AG00FHS2

71942-14-8 | 3-Bromo-4,5-dimethylphenol

AG00FHS2

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CAS Number	71942-14-8
Catalog Number	AG00FHS2(AGN-PC-0NJMP2)
Chemical Name	3-Bromo-4,5-dimethylphenol
IUPAC Name	3-bromo-4,5-dimethylphenol
InChI	InChI=1S/C8H9BrO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H3
InChI Key	GJVYZGLNIKGKTE-UHFFFAOYSA-N
MDL Number	MFCD12405395
Molecular Formula	C8H9BrO
Molecular Weight	201.0605
SMILES	OC1=CC(C)=C(C)C(Br)=C1
Synonyms	3-BROMO-4,5-DIMETHYLPHENOL, 71942-14-8, 3,4-Dimethyl-5-bromophenol, 5-Bromo-3,4-dimethylphenol, SCHEMBL6797282, CTK5D5281, KS-00000TZY, DTXSID20504510, GJVYZGLNIKGKTE-UHFFFAOYSA-N, Phenol, 3-bromo-4,5-dimethyl-, MFCD12405395, ZINC39255051, AKOS024073537, AK567598, DS-19657,

Complexity	116
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	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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