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175793-48-3 | 1H-Indene-2-carbonitrile, 3-chloro-1-(dichloromethylene)-
CAS No: 175793-48-3 Catalog No: AG00216G MDL No:
Product Description
Catalog Number:
AG00216G
Chemical Name:
1H-Indene-2-carbonitrile, 3-chloro-1-(dichloromethylene)-
CAS Number:
175793-48-3
Molecular Formula:
C11H4Cl3N
Molecular Weight:
256.5152
IUPAC Name:
1-chloro-3-(dichloromethylidene)indene-2-carbonitrile
InChI:
InChI=1S/C11H4Cl3N/c12-10-7-4-2-1-3-6(7)9(11(13)14)8(10)5-15/h1-4H
InChI Key:
XGGGTALNFKKMSQ-UHFFFAOYSA-N
SMILES:
N#CC1=C(Cl)c2c(C1=C(Cl)Cl)cccc2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.941g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.51g/mol
Monoisotopic Mass:
254.941g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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