AG00BFJR

219823-49-1 | Benzonitrile, 2-amino-4,5-difluoro- (9CI)

AG00BFJR

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CAS Number	219823-49-1
Catalog Number	AG00BFJR(AGN-PC-0NC3DE)
Chemical Name	Benzonitrile, 2-amino-4,5-difluoro- (9CI)
IUPAC Name	2-amino-4,5-difluorobenzonitrile
InChI	InChI=1S/C7H4F2N2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-2H,11H2
InChI Key	WQDUYGGOVGUBMO-UHFFFAOYSA-N
MDL Number	MFCD09835282
Molecular Formula	C7H4F2N2
Molecular Weight	154.1169
SMILES	NC1=C(C=C(F)C(F)=C1)C#N
Synonyms	2-AMINO-4,5-DIFLUOROBENZONITRILE, 219823-49-1, 2-amino-4,5-difluoro-benzonitrile, BENZONITRILE, 2-AMINO-4,5-DIFLUORO-, PubChem7245, 2-Cyano-4,5-difluoroaniline, SCHEMBL404483, CTK8C4631, DTXSID20446709, WQDUYGGOVGUBMO-UHFFFAOYSA-N, ACT12444, BUTTPARK 156\07-75, 1117AB, ANW-72562, MFCD09835282, ZINC39953637, AKOS006328968, AS05778, CM12912, LS11828, AC-26107, AS-33144, SC-44117, AJ-101349, DB-066671, TC-161307, CS-0037497, FT-0687058, ST24039915, A18463, C7H4F2N2, CID10877330, Benzonitrile, 2-amino-4,5-difluoro- (9CI),

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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