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3177-24-0 | 2,4-Dichloropyrimidine-5-carbonitrile
CAS No: 3177-24-0 Catalog No: AG003FQ7 MDL No:MFCD09746248
Product Description
Catalog Number:
AG003FQ7
Chemical Name:
2,4-Dichloropyrimidine-5-carbonitrile
CAS Number:
3177-24-0
Molecular Formula:
C5HCl2N3
Molecular Weight:
173.9875
MDL Number:
MFCD09746248
IUPAC Name:
2,4-dichloropyrimidine-5-carbonitrile
InChI:
InChI=1S/C5HCl2N3/c6-4-3(1-8)2-9-5(7)10-4/h2H
InChI Key:
KMHSUNDEGHRBNV-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(nc1Cl)Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.955g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.984g/mol
Monoisotopic Mass:
172.955g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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