Home Halogens 2-(4-bromo-2-oxo-1,2-dihydropyridin-1-yl)acetic acid

2-(4-bromo-2-oxo-1,2-dihydropyridin-1-yl)acetic acid

CAS No.:
2092511-19-6
Catalog Number:
AG01BXVL
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
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Product Description
Catalog Number:
AG01BXVL
Chemical Name:
2-(4-bromo-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CAS Number:
2092511-19-6
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD30699980
IUPAC Name:
2-(4-bromo-2-oxopyridin-1-yl)acetic acid
InChI:
InChI=1S/C7H6BrNO3/c8-5-1-2-9(4-7(11)12)6(10)3-5/h1-3H,4H2,(H,11,12)
InChI Key:
INCAMIFWGMKSNK-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1ccc(cc1=O)Br
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties