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1086382-38-8

1086382-38-8 | 6-Bromo-4(1H)-pyrimidinone

CAS No: 1086382-38-8 Catalog No: AG0037ZE MDL No:MFCD18070731

Product Description

Catalog Number:
AG0037ZE
Chemical Name:
6-Bromo-4(1H)-pyrimidinone
CAS Number:
1086382-38-8
Molecular Formula:
C4H3BrN2O
Molecular Weight:
174.9834
MDL Number:
MFCD18070731
IUPAC Name:
4-bromo-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H3BrN2O/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8)
InChI Key:
ZJTSUBVUTCTJNX-UHFFFAOYSA-N
SMILES:
O=c1nc[nH]c(c1)Br

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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