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210569-69-0 | 1H-Indole-3-propanoic acid, 6-bromo-
CAS No: 210569-69-0 Catalog No: AG002KV6 MDL No:
Product Description
Catalog Number:
AG002KV6
Chemical Name:
1H-Indole-3-propanoic acid, 6-bromo-
CAS Number:
210569-69-0
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
IUPAC Name:
3-(6-bromo-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C11H10BrNO2/c12-8-2-3-9-7(1-4-11(14)15)6-13-10(9)5-8/h2-3,5-6,13H,1,4H2,(H,14,15)
InChI Key:
RLHSUKOLQNHGRC-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c[nH]c2c1ccc(c2)Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.11g/mol
Monoisotopic Mass:
266.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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