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77832-66-7 | Methanone, (1-chloro-2-methyl-3-indolizinyl)(4-hydroxyphenyl)-
CAS No: 77832-66-7 Catalog No: AG005F1X MDL No:
Product Description
Catalog Number:
AG005F1X
Chemical Name:
Methanone, (1-chloro-2-methyl-3-indolizinyl)(4-hydroxyphenyl)-
CAS Number:
77832-66-7
Molecular Formula:
C16H12ClNO2
Molecular Weight:
285.7250
IUPAC Name:
(1-chloro-2-methylindolizin-3-yl)-(4-hydroxyphenyl)methanone
InChI:
InChI=1S/C16H12ClNO2/c1-10-14(17)13-4-2-3-9-18(13)15(10)16(20)11-5-7-12(19)8-6-11/h2-9,19H,1H3
InChI Key:
YNTBKYYQALVCLM-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(=O)c1c(C)c(c2n1cccc2)Cl
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.727g/mol
Monoisotopic Mass:
285.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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