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Home > Bromides > 1167056-23-6
1167056-23-6 | 1H-Indole-6-carboxylic acid, 3-bromo-4-(phenylmethoxy)-
CAS No: 1167056-23-6 Catalog No: AG000D3J MDL No:
Product Description
Catalog Number:
AG000D3J
Chemical Name:
1H-Indole-6-carboxylic acid, 3-bromo-4-(phenylmethoxy)-
CAS Number:
1167056-23-6
Molecular Formula:
C16H12BrNO3
Molecular Weight:
346.1754
IUPAC Name:
3-bromo-4-phenylmethoxy-1H-indole-6-carboxylic acid
InChI:
InChI=1S/C16H12BrNO3/c17-12-8-18-13-6-11(16(19)20)7-14(15(12)13)21-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H,19,20)
InChI Key:
KMPSGBUFSBWMSV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(OCc2ccccc2)c2c(c1)[nH]cc2Br
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.18g/mol
Monoisotopic Mass:
345g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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