AG000JJX

1228376-68-8 | Benzonitrile, 4-amino-2-chloro-5-fluoro-

AG000JJX

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CAS Number	1228376-68-8
Catalog Number	AG000JJX(AGN-PC-0WAMV4)
Chemical Name	Benzonitrile, 4-amino-2-chloro-5-fluoro-
IUPAC Name	4-amino-2-chloro-5-fluorobenzonitrile
InChI	InChI=1S/C7H4ClFN2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2
InChI Key	TYJHYNUQJBQPQF-UHFFFAOYSA-N
MDL Number	MFCD11110982
Molecular Formula	C7H4ClFN2
Molecular Weight	170.5715
SMILES	N#CC1=CC(F)=C(N)C=C1Cl
Synonyms	4-AMINO-2-CHLORO-5-FLUOROBENZONITRILE, 1228376-68-8, AK-79656, SCHEMBL2476965, CTK8B4379, DTXSID50697727, TYJHYNUQJBQPQF-UHFFFAOYSA-N, 4401AA, ANW-44875, FCH889105, MFCD11110982, ZINC77028740, AKOS006306419, DS-17721, SC-45352, Benzonitrile, 4-amino-2-chloro-5-fluoro-, AJ-122470, AX8227881, DB-062102, TC-133620, FT-0687052, ST24023270, C7H4ClFN2,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.005g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.571g/mol
Monoisotopic Mass	170.005g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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