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85137-89-9 | 3-(2-CHLOROBENZYLIDENE)-3H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
CAS No: 85137-89-9 Catalog No: AG004QSK MDL No:
Product Description
Catalog Number:
AG004QSK
Chemical Name:
3-(2-CHLOROBENZYLIDENE)-3H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
CAS Number:
85137-89-9
Molecular Formula:
C18H14ClNO2
Molecular Weight:
311.7623
IUPAC Name:
ethyl 3-[(2-chlorophenyl)methylidene]indole-2-carboxylate
InChI:
InChI=1S/C18H14ClNO2/c1-2-22-18(21)17-14(11-12-7-3-5-9-15(12)19)13-8-4-6-10-16(13)20-17/h3-11H,2H2,1H3
InChI Key:
CJIIODHTPSOKRF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=Nc2c(C1=Cc1ccccc1Cl)cccc2
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.071g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.765g/mol
Monoisotopic Mass:
311.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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