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445303-24-2 | 1-(3-Bromophenyl)-1H-imidazole-4-carboxylic acid
CAS No: 445303-24-2 Catalog No: AG01EW19 MDL No:
Product Description
Catalog Number:
AG01EW19
Chemical Name:
1-(3-Bromophenyl)-1H-imidazole-4-carboxylic acid
CAS Number:
445303-24-2
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
IUPAC Name:
1-(3-bromophenyl)imidazole-4-carboxylic acid
InChI:
InChI=1S/C10H7BrN2O2/c11-7-2-1-3-8(4-7)13-5-9(10(14)15)12-6-13/h1-6H,(H,14,15)
InChI Key:
SDRYSGMVWHIYED-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)n1cnc(c1)C(=O)O
Properties
Complexity:
250
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
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