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898044-48-9 | 4-Chloro-2-pyrimidinecarbonitrile
CAS No: 898044-48-9 Catalog No: AG0038D5 MDL No:MFCD09607718
Product Description
Catalog Number:
AG0038D5
Chemical Name:
4-Chloro-2-pyrimidinecarbonitrile
CAS Number:
898044-48-9
Molecular Formula:
C5H2ClN3
Molecular Weight:
139.5425
MDL Number:
MFCD09607718
IUPAC Name:
4-chloropyrimidine-2-carbonitrile
InChI:
InChI=1S/C5H2ClN3/c6-4-1-2-8-5(3-7)9-4/h1-2H
InChI Key:
AKONCVZBQYODEU-UHFFFAOYSA-N
SMILES:
Clc1ccnc(n1)C#N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.994g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.542g/mol
Monoisotopic Mass:
138.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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