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4-Chloropyrimidine

CAS No.:
17180-93-7
Catalog Number:
AG003892
Molecular Formula:
C4H3ClN2
Molecular Weight:
114.5330
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Product Description
Catalog Number:
AG003892
Chemical Name:
4-Chloropyrimidine
CAS Number:
17180-93-7
Molecular Formula:
C4H3ClN2
Molecular Weight:
114.5330
MDL Number:
MFCD08234613
IUPAC Name:
4-chloropyrimidine
InChI:
InChI=1S/C4H3ClN2/c5-4-1-2-6-3-7-4/h1-3H
InChI Key:
DBPKMSBWOKAKLA-UHFFFAOYSA-N
SMILES:
Clc1ccncn1
Properties
Complexity:
57.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.998g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.532g/mol
Monoisotopic Mass:
113.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
6-Chloro-N-methyl-N-phenyl-pyrimidine-4,5-diamine. Acta crystallographica. Section E, Structure reports online 20110801
Synthesis of some new pyrimidine and fused pyrimidine derivatives (Part I). Bollettino chimico farmaceutico 20030101
Hydrogen-bond mediated catalysis: the aminolysis of 6-chloropyrimidine as catalyzed by derivatives of uracil. Journal of the American Chemical Society 20010307
Properties