AG00HC5A

1114546-30-3 | 4-Bromo-2-fluoro-3-methylbenzonitrile

AG00HC5A

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CAS Number	1114546-30-3
Catalog Number	AG00HC5A(AGN-PC-0CZQTJ)
Chemical Name	4-Bromo-2-fluoro-3-methylbenzonitrile
IUPAC Name	4-bromo-2-fluoro-3-methylbenzonitrile
InChI	InChI=1S/C8H5BrFN/c1-5-7(9)3-2-6(4-11)8(5)10/h2-3H,1H3
InChI Key	PWISOHRBGSJIPW-UHFFFAOYSA-N
MDL Number	MFCD23707391
Molecular Formula	C8H5BrFN
Molecular Weight	214.0344
SMILES	N#CC1=CC=C(Br)C(C)=C1F
Synonyms	4-bromo-2-fluoro-3-methylbenzonitrile, 1114546-30-3, AK162052, SCHEMBL152425, KS-00000SLF, PWISOHRBGSJIPW-UHFFFAOYSA-N, MFCD23707391, ZINC98210861, DS-7440, FCH2332165, PC48590, 4-bromo-2-fluoro-3-methyl-benzonitrile, DA-15472, FT-0728564, ST24043377, AS-813/43501998,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.959g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.037g/mol
Monoisotopic Mass	212.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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