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1319804-29-9 | 3-Pyridinecarbonitrile, 2,6-dichloro-5-cyclopropyl-
CAS No: 1319804-29-9 Catalog No: AG000ZZZ MDL No:
Product Description
Catalog Number:
AG000ZZZ
Chemical Name:
3-Pyridinecarbonitrile, 2,6-dichloro-5-cyclopropyl-
CAS Number:
1319804-29-9
Molecular Formula:
C9H6Cl2N2
Molecular Weight:
213.0633
IUPAC Name:
2,6-dichloro-5-cyclopropylpyridine-3-carbonitrile
InChI:
InChI=1S/C9H6Cl2N2/c10-8-6(4-12)3-7(5-1-2-5)9(11)13-8/h3,5H,1-2H2
InChI Key:
PJWQFHOJOFFUFB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C2CC2)c(nc1Cl)Cl
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.991g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.061g/mol
Monoisotopic Mass:
211.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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