Home Other Building Blocks 6-Chloropyrimidin-2(1H)-one

6-Chloropyrimidin-2(1H)-one

CAS No.:
80927-55-5
Catalog Number:
AG00G7Z7
Molecular Formula:
C4H3ClN2O
Molecular Weight:
130.5324
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Product Description
Catalog Number:
AG00G7Z7
Chemical Name:
6-Chloropyrimidin-2(1H)-one
CAS Number:
80927-55-5
Molecular Formula:
C4H3ClN2O
Molecular Weight:
130.5324
MDL Number:
MFCD16987910
IUPAC Name:
6-chloro-1H-pyrimidin-2-one
InChI:
InChI=1S/C4H3ClN2O/c5-3-1-2-6-4(8)7-3/h1-2H,(H,6,7,8)
InChI Key:
KVHNGYWHLLJFNQ-UHFFFAOYSA-N
SMILES:
Clc1cc[nH]c(=O)n1
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.993g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.531g/mol
Monoisotopic Mass:
129.993g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties