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81971-38-2

81971-38-2 | 3-Bromo-1-methylpyridin-2(1H)-one

CAS No: 81971-38-2 Catalog No: AG003A59 MDL No:MFCD11226865

Product Description

Catalog Number:
AG003A59
Chemical Name:
3-Bromo-1-methylpyridin-2(1H)-one
CAS Number:
81971-38-2
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD11226865
IUPAC Name:
3-bromo-1-methylpyridin-2-one
InChI:
InChI=1S/C6H6BrNO/c1-8-4-2-3-5(7)6(8)9/h2-4H,1H3
InChI Key:
HKLQWLOMEUJSOR-UHFFFAOYSA-N
SMILES:
Cn1cccc(c1=O)Br

Properties

Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.963g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.024g/mol
Monoisotopic Mass:
186.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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