AG001T4W

1624261-31-9 | Benzonitrile, 5-chloro-2,3-difluoro-

AG001T4W

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CAS Number	1624261-31-9
Catalog Number	AG001T4W(AGN-PC-0WD6O6)
Chemical Name	Benzonitrile, 5-chloro-2,3-difluoro-
IUPAC Name	5-chloro-2,3-difluorobenzonitrile
InChI	InChI=1S/C7H2ClF2N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H
InChI Key	YVPKTCIAWKAIBN-UHFFFAOYSA-N
MDL Number	MFCD20924201
Molecular Formula	C7H2ClF2N
Molecular Weight	173.5473
SMILES	N#CC1=CC(Cl)=CC(F)=C1F
Synonyms	5-CHLORO-2,3-DIFLUOROBENZONITRILE, 1624261-31-9, SCHEMBL20267322, MFCD20924201, TD1085, ZINC97758801, AKOS024462517, Benzonitrile, 5-chloro-2,3-difluoro-, AS-54700, AJ-138494, ST24044590,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.547g/mol
Monoisotopic Mass	172.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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