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1194-21-4 | 4(1H)-Pyrimidinone, 2-amino-6-chloro-
CAS No: 1194-21-4 Catalog No: AG000IOU MDL No:MFCD12028107
Product Description
Catalog Number:
AG000IOU
Chemical Name:
4(1H)-Pyrimidinone, 2-amino-6-chloro-
CAS Number:
1194-21-4
Molecular Formula:
C4H4ClN3O
Molecular Weight:
145.5471
MDL Number:
MFCD12028107
IUPAC Name:
2-amino-4-chloro-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H4ClN3O/c5-2-1-3(9)8-4(6)7-2/h1H,(H3,6,7,8,9)
InChI Key:
VBWACOJLJYUFKJ-UHFFFAOYSA-N
SMILES:
O=c1cc(Cl)[nH]c(n1)N
EC Number:
214-785-4
NSC Number:
35655
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:
2
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:
-0.5
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