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198277-56-4

198277-56-4 | 1H-Indole-2-carboxylic acid, 5-bromo-1-(phenylmethyl)-, ethyl ester

CAS No: 198277-56-4 Catalog No: AG002BE4 MDL No:

Product Description

Catalog Number:
AG002BE4
Chemical Name:
1H-Indole-2-carboxylic acid, 5-bromo-1-(phenylmethyl)-, ethyl ester
CAS Number:
198277-56-4
Molecular Formula:
C18H16BrNO2
Molecular Weight:
358.2291
IUPAC Name:
ethyl 1-benzyl-5-bromoindole-2-carboxylate
InChI:
InChI=1S/C18H16BrNO2/c1-2-22-18(21)17-11-14-10-15(19)8-9-16(14)20(17)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChI Key:
MJNSKTVQAZTLTO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(n1Cc1ccccc1)ccc(c2)Br

Properties

Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.036g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.235g/mol
Monoisotopic Mass:
357.036g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

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