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75833-38-4 | 2-Chloropyrimidine-4-carbonitrile
CAS No: 75833-38-4 Catalog No: AG003H3I MDL No:MFCD00234989
Product Description
Catalog Number:
AG003H3I
Chemical Name:
2-Chloropyrimidine-4-carbonitrile
CAS Number:
75833-38-4
Molecular Formula:
C5H2ClN3
Molecular Weight:
139.5425
MDL Number:
MFCD00234989
IUPAC Name:
2-chloropyrimidine-4-carbonitrile
InChI:
InChI=1S/C5H2ClN3/c6-5-8-2-1-4(3-7)9-5/h1-2H
InChI Key:
HXVQPZSXXYOZMP-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(n1)Cl
NSC Number:
59978
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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