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19808-30-1 | 4(3H)-Pyrimidinone, 5-bromo-
CAS No: 19808-30-1 Catalog No: AG002BAF MDL No:MFCD00223740
Product Description
Catalog Number:
AG002BAF
Chemical Name:
4(3H)-Pyrimidinone, 5-bromo-
CAS Number:
19808-30-1
Molecular Formula:
C4H3BrN2O
Molecular Weight:
174.9834
MDL Number:
MFCD00223740
IUPAC Name:
5-bromo-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H3BrN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
InChI Key:
CLJIGLPOBRSBNU-UHFFFAOYSA-N
SMILES:
Brc1cnc[nH]c1=O
EC Number:
243-334-4
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.943g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.985g/mol
Monoisotopic Mass:
173.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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