AG000T33

126674-94-0 | Benzonitrile, 2-amino-3,5-difluoro-

AG000T33

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CAS Number	126674-94-0
Catalog Number	AG000T33(AGN-PC-0029LQ)
Chemical Name	Benzonitrile, 2-amino-3,5-difluoro-
IUPAC Name	2-amino-3,5-difluorobenzonitrile
InChI	InChI=1S/C7H4F2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
InChI Key	CNKCTXYYABVMLS-UHFFFAOYSA-N
MDL Number	MFCD18826239
Molecular Formula	C7H4F2N2
Molecular Weight	154.1169
SMILES	N#CC1=CC(F)=CC(F)=C1N
Synonyms	2-AMINO-3,5-DIFLUOROBENZONITRILE, 126674-94-0, Benzonitrile, 2-amino-3,5-difluoro-, SCHEMBL2652439, CTK8G7442, KS-00000SKD, DTXSID30562626, CNKCTXYYABVMLS-UHFFFAOYSA-N, CL8135, MFCD18826239, ZINC34336135, AKOS017413634, DS-9836, AC-28612, AJ-88031, AK161006, ST24039879, X-3608, 1093865-65-6,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.034g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.12g/mol
Monoisotopic Mass	154.034g/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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