Home Halogens 1H-Imidazole-4-carboxylic acid, 1-(4-bromophenyl)-

1H-Imidazole-4-carboxylic acid, 1-(4-bromophenyl)-

CAS No.:
445302-27-2
Catalog Number:
AG00DLTG
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
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Product Description
Catalog Number:
AG00DLTG
Chemical Name:
1H-Imidazole-4-carboxylic acid, 1-(4-bromophenyl)-
CAS Number:
445302-27-2
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
MDL Number:
MFCD16666931
IUPAC Name:
1-(4-bromophenyl)imidazole-4-carboxylic acid
InChI:
InChI=1S/C10H7BrN2O2/c11-7-1-3-8(4-2-7)13-5-9(10(14)15)12-6-13/h1-6H,(H,14,15)
InChI Key:
BOXLOBBFTWDLPD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1cnc(c1)C(=O)O
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.969g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.082g/mol
Monoisotopic Mass:
265.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties