Home Halogens 6-bromo-4-nitropyridine-3-carboxylic acid

6-bromo-4-nitropyridine-3-carboxylic acid

CAS No.:
66092-63-5
Catalog Number:
AG01DHJT
Molecular Formula:
C6H3BrN2O4
Molecular Weight:
247.0030
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Product Description
Catalog Number:
AG01DHJT
Chemical Name:
6-bromo-4-nitropyridine-3-carboxylic acid
CAS Number:
66092-63-5
Molecular Formula:
C6H3BrN2O4
Molecular Weight:
247.0030
MDL Number:
MFCD25965927
IUPAC Name:
6-bromo-4-nitropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H3BrN2O4/c7-5-1-4(9(12)13)3(2-8-5)6(10)11/h1-2H,(H,10,11)
InChI Key:
DXCCKVXDMGBPDN-UHFFFAOYSA-N
SMILES:
Brc1ncc(c(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.928g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.004g/mol
Monoisotopic Mass:
245.928g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties