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1467057-23-3 | 1H-Indole-3-carboxylic acid, 6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-
CAS No: 1467057-23-3 Catalog No: AG001E8X MDL No:
Product Description
Catalog Number:
AG001E8X
Chemical Name:
1H-Indole-3-carboxylic acid, 6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-
CAS Number:
1467057-23-3
Molecular Formula:
C19H16ClNO3
Molecular Weight:
341.7882
IUPAC Name:
6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
InChI Key:
FHQXLWCFSUSXBF-UHFFFAOYSA-N
SMILES:
Clc1cc2[nH]cc(c2cc1c1ccc(cc1)C1(O)CCC1)C(=O)O
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.082g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
341.791g/mol
Monoisotopic Mass:
341.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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