AG00H22F

913191-20-5 | 5-BROMO-2-HYDROXY-3-METHYL-BENZONITRILE

AG00H22F

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CAS Number	913191-20-5
Catalog Number	AG00H22F(AGN-PC-07B6DT)
Chemical Name	5-BROMO-2-HYDROXY-3-METHYL-BENZONITRILE
IUPAC Name	5-bromo-2-hydroxy-3-methylbenzonitrile
InChI	InChI=1S/C8H6BrNO/c1-5-2-7(9)3-6(4-10)8(5)11/h2-3,11H,1H3
InChI Key	TWYOQUWFJTZSDH-UHFFFAOYSA-N
MDL Number	MFCD08457442
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	N#CC1=CC(Br)=CC(C)=C1O
Synonyms	5-Bromo-2-hydroxy-3-methylbenzonitrile, 913191-20-5, SCHEMBL1852238, DTXSID20669512, TWYOQUWFJTZSDH-UHFFFAOYSA-N, CL9139, MFCD08457442, ZINC36532709, AM83275, DS-7184, FCH1388906, AJ-93057, AK133093, CJ-18935, AX8254635, 5-BROMO-2-HYDROXY-3-METHYL-BENZONITRILE,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.046g/mol
Monoisotopic Mass	210.963g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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