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1912-37-4 | 1H-Indole-3-acetic acid, 2-bromo-, ethyl ester
CAS No: 1912-37-4 Catalog No: AG002F4D MDL No:
Product Description
Catalog Number:
AG002F4D
Chemical Name:
1H-Indole-3-acetic acid, 2-bromo-, ethyl ester
CAS Number:
1912-37-4
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
IUPAC Name:
ethyl 2-(2-bromo-1H-indol-3-yl)acetate
InChI:
InChI=1S/C12H12BrNO2/c1-2-16-11(15)7-9-8-5-3-4-6-10(8)14-12(9)13/h3-6,14H,2,7H2,1H3
InChI Key:
KHJZVJWFHWQLAB-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1c(Br)[nH]c2c1cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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