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1269294-29-2 | 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2-pyrimidinyl)-
CAS No: 1269294-29-2 Catalog No: AG000WEO MDL No:MFCD17168525
Product Description
Catalog Number:
AG000WEO
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-chloro-1-(2-pyrimidinyl)-
CAS Number:
1269294-29-2
Molecular Formula:
C8H4ClN5
Molecular Weight:
205.6039
MDL Number:
MFCD17168525
IUPAC Name:
5-chloro-1-pyrimidin-2-ylpyrazole-4-carbonitrile
InChI:
InChI=1S/C8H4ClN5/c9-7-6(4-10)5-13-14(7)8-11-2-1-3-12-8/h1-3,5H
InChI Key:
CBJAIBZITZEUER-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1Cl)c1ncccn1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.016g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.605g/mol
Monoisotopic Mass:
205.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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