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1141669-53-5 | Benzoic acid, 3-bromo-4-(1H-imidazol-1-yl)-
CAS No: 1141669-53-5 Catalog No: AG000APT MDL No:MFCD11656807
Product Description
Catalog Number:
AG000APT
Chemical Name:
Benzoic acid, 3-bromo-4-(1H-imidazol-1-yl)-
CAS Number:
1141669-53-5
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
MDL Number:
MFCD11656807
IUPAC Name:
3-bromo-4-imidazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H7BrN2O2/c11-8-5-7(10(14)15)1-2-9(8)13-4-3-12-6-13/h1-6H,(H,14,15)
InChI Key:
DPGOYWGOSVWTDZ-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1n1cncc1)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:
1.9
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