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1269292-00-3 | 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(4-pyridinyl)-
CAS No: 1269292-00-3 Catalog No: AG000TIN MDL No:MFCD17168527
Product Description
Catalog Number:
AG000TIN
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-chloro-1-(4-pyridinyl)-
CAS Number:
1269292-00-3
Molecular Formula:
C9H5ClN4
Molecular Weight:
204.6158
MDL Number:
MFCD17168527
IUPAC Name:
5-chloro-1-pyridin-4-ylpyrazole-4-carbonitrile
InChI:
InChI=1S/C9H5ClN4/c10-9-7(5-11)6-13-14(9)8-1-3-12-4-2-8/h1-4,6H
InChI Key:
RZTNIBRMUVTCMV-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1Cl)c1ccncc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.617g/mol
Monoisotopic Mass:
204.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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