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101774-27-0 | 1H-Indole-3-carboxylic acid, 6-bromo-
CAS No: 101774-27-0 Catalog No: AG0005GI MDL No:MFCD05664008
Product Description
Catalog Number:
AG0005GI
Chemical Name:
1H-Indole-3-carboxylic acid, 6-bromo-
CAS Number:
101774-27-0
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD05664008
IUPAC Name:
6-bromo-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C9H6BrNO2/c10-5-1-2-6-7(9(12)13)4-11-8(6)3-5/h1-4,11H,(H,12,13)
InChI Key:
INNZWYJJSSRJET-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]cc2C(=O)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Halogenated indole alkaloids from marine invertebrates. | Marine drugs 20100101 |
| Leptoclinidamines A-C, indole alkaloids from the Australian ascidian Leptoclinides durus. | Journal of natural products 20090401 |
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