AG000F5X

1147558-43-7 | Benzonitrile, 4-amino-3-chloro-5-fluoro-

AG000F5X

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CAS Number	1147558-43-7
Catalog Number	AG000F5X(AGN-PC-0HQ4B0)
Chemical Name	Benzonitrile, 4-amino-3-chloro-5-fluoro-
IUPAC Name	4-amino-3-chloro-5-fluorobenzonitrile
InChI	InChI=1S/C7H4ClFN2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
InChI Key	BWAFIBAPFADXHV-UHFFFAOYSA-N
MDL Number	MFCD18426013
Molecular Formula	C7H4ClFN2
Molecular Weight	170.5715
SMILES	N#CC1=CC(F)=C(N)C(Cl)=C1
Synonyms	4-Amino-3-chloro-5-fluorobenzonitrile, 1147558-43-7, AK139080, SCHEMBL10120595, KS-00000RSM, BWAFIBAPFADXHV-UHFFFAOYSA-N, 2-Chloro-4-cyano-6-fluoroaniline, MFCD18426013, ZINC95830536, AKOS022174418, DS-6511, FCH1168981, 4-amino-3-chloro-5-fluoro-benzonitrile, Benzonitrile, 4-amino-3-chloro-5-fluoro-, AJ-134677, AX8260685,

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	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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