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155-12-4 | 4(3H)-Pyrimidinone, 2-chloro-5-fluoro-
CAS No: 155-12-4 Catalog No: AG001NJR MDL No:MFCD01346689
Product Description
Catalog Number:
AG001NJR
Chemical Name:
4(3H)-Pyrimidinone, 2-chloro-5-fluoro-
CAS Number:
155-12-4
Molecular Formula:
C4H2ClFN2O
Molecular Weight:
148.5229
MDL Number:
MFCD01346689
IUPAC Name:
2-chloro-5-fluoro-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H2ClFN2O/c5-4-7-1-2(6)3(9)8-4/h1H,(H,7,8,9)
InChI Key:
FHTLMXYURUPWJB-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(=O)[nH]1)F
NSC Number:
80850
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.984g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.521g/mol
Monoisotopic Mass:
147.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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