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26466-68-2 | 1-Indolizineacetic acid, 3-(4-chlorobenzoyl)-2-methyl-
CAS No: 26466-68-2 Catalog No: AG002TCD MDL No:
Product Description
Catalog Number:
AG002TCD
Chemical Name:
1-Indolizineacetic acid, 3-(4-chlorobenzoyl)-2-methyl-
CAS Number:
26466-68-2
Molecular Formula:
C18H14ClNO3
Molecular Weight:
327.7617
IUPAC Name:
2-[1-(4-chlorobenzoyl)-2-methylindolizin-3-yl]acetic acid
InChI:
InChI=1S/C18H14ClNO3/c1-11-15(10-16(21)22)20-9-3-2-4-14(20)17(11)18(23)12-5-7-13(19)8-6-12/h2-9H,10H2,1H3,(H,21,22)
InChI Key:
PUHSQOUMNBLEEC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c2ccccn2c(c1C)C(=O)c1ccc(cc1)Cl
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.066g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.764g/mol
Monoisotopic Mass:
327.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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