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Home > Bromides > 1260753-02-3
1260753-02-3 | 1H-Imidazole-2-carboxylic acid, 5-bromo-
CAS No: 1260753-02-3 Catalog No: AG000R3Q MDL No:MFCD09842486
Product Description
Catalog Number:
AG000R3Q
Chemical Name:
1H-Imidazole-2-carboxylic acid, 5-bromo-
CAS Number:
1260753-02-3
Molecular Formula:
C4H3BrN2O2
Molecular Weight:
190.9828
MDL Number:
MFCD09842486
IUPAC Name:
5-bromo-1H-imidazole-2-carboxylic acid
InChI:
InChI=1S/C4H3BrN2O2/c5-2-1-6-3(7-2)4(8)9/h1H,(H,6,7)(H,8,9)
InChI Key:
ZLWMWGLWSFVWIW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc([nH]1)Br
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.938g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.984g/mol
Monoisotopic Mass:
189.938g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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