Home Halogens 4(1H)-Pyrimidinone, 6-amino-5-chloro- (9CI)

4(1H)-Pyrimidinone, 6-amino-5-chloro- (9CI)

CAS No.:
310400-36-3
Catalog Number:
AG00BTSX
Molecular Formula:
C4H4ClN3O
Molecular Weight:
145.5471
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Product Description
Catalog Number:
AG00BTSX
Chemical Name:
4(1H)-Pyrimidinone, 6-amino-5-chloro- (9CI)
CAS Number:
310400-36-3
Molecular Formula:
C4H4ClN3O
Molecular Weight:
145.5471
MDL Number:
MFCD28961197
IUPAC Name:
4-amino-5-chloro-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H4ClN3O/c5-2-3(6)7-1-8-4(2)9/h1H,(H3,6,7,8,9)
InChI Key:
YZNLBMDWBPRCAL-UHFFFAOYSA-N
SMILES:
Nc1nc[nH]c(=O)c1Cl
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.004g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
145.546g/mol
Monoisotopic Mass:
145.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties