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113423-46-4 | Benzoic acid, 4-chloro-, 1H-indol-5-yl ester
CAS No: 113423-46-4 Catalog No: AG0008JH MDL No:
Product Description
Catalog Number:
AG0008JH
Chemical Name:
Benzoic acid, 4-chloro-, 1H-indol-5-yl ester
CAS Number:
113423-46-4
Molecular Formula:
C15H10ClNO2
Molecular Weight:
271.6984
IUPAC Name:
1H-indol-5-yl 4-chlorobenzoate
InChI:
InChI=1S/C15H10ClNO2/c16-12-3-1-10(2-4-12)15(18)19-13-5-6-14-11(9-13)7-8-17-14/h1-9,17H
InChI Key:
PFMUTPMGQVQLRZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)Oc1ccc2c(c1)cc[nH]2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.04g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.7g/mol
Monoisotopic Mass:
271.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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