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16732-70-0 | 1H-Indole-2-carboxylic acid, 5-bromo-, ethyl ester
CAS No: 16732-70-0 Catalog No: AG001XAR MDL No:MFCD00022701
Product Description
Catalog Number:
AG001XAR
Chemical Name:
1H-Indole-2-carboxylic acid, 5-bromo-, ethyl ester
CAS Number:
16732-70-0
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
MDL Number:
MFCD00022701
IUPAC Name:
ethyl 5-bromo-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
InChI Key:
LWRLKENDQISGEU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)ccc(c2)Br
NSC Number:
88620
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:
3.9
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