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1912-35-2 | 1H-Indole-3-acetic acid, 2-bromo-, methyl ester
CAS No: 1912-35-2 Catalog No: AG002F4E MDL No:
Product Description
Catalog Number:
AG002F4E
Chemical Name:
1H-Indole-3-acetic acid, 2-bromo-, methyl ester
CAS Number:
1912-35-2
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
IUPAC Name:
methyl 2-(2-bromo-1H-indol-3-yl)acetate
InChI:
InChI=1S/C11H10BrNO2/c1-15-10(14)6-8-7-4-2-3-5-9(7)13-11(8)12/h2-5,13H,6H2,1H3
InChI Key:
PJILRCSPRGMWLW-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c(Br)[nH]c2c1cccc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
268.11g/mol
Monoisotopic Mass:
266.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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