AG00194D

1384265-40-0 | Benzonitrile, 2-amino-3,4-difluoro-

AG00194D

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CAS Number	1384265-40-0
Catalog Number	AG00194D(AGN-PC-0WCY3J)
Chemical Name	Benzonitrile, 2-amino-3,4-difluoro-
IUPAC Name	2-amino-3,4-difluorobenzonitrile
InChI	InChI=1S/C7H4F2N2/c8-5-2-1-4(3-10)7(11)6(5)9/h1-2H,11H2
InChI Key	JWKVPHWFIGYGRI-UHFFFAOYSA-N
MDL Number	MFCD21606584
Molecular Formula	C7H4F2N2
Molecular Weight	154.1169
SMILES	NC1=C(C#N)C=CC(=C1F)F
Synonyms	2-Amino-3,4-difluorobenzonitrile, 1384265-40-0, KS-00003RCD, CL8134, MFCD21606584, ZINC82164582, AKOS019066936, Benzonitrile, 2-amino-3,4-difluoro-, MCULE-3840763345, PS-8896, X-3947,

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	6.1
Hazard statements	H301-H312-H332
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310
UN Code	UN 2811

Certificate of Analysis

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