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Home > Aldehydes > 872674-74-3
872674-74-3 | 1H-Indole-3-acetaldehyde, 5-chloro-1-(diphenylmethyl)-2-methyl-
CAS No: 872674-74-3 Catalog No: AG004I9W MDL No:
Product Description
Catalog Number:
AG004I9W
Chemical Name:
1H-Indole-3-acetaldehyde, 5-chloro-1-(diphenylmethyl)-2-methyl-
CAS Number:
872674-74-3
Molecular Formula:
C24H20ClNO
Molecular Weight:
373.8747
IUPAC Name:
2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)acetaldehyde
InChI:
InChI=1S/C24H20ClNO/c1-17-21(14-15-27)22-16-20(25)12-13-23(22)26(17)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,15-16,24H,14H2,1H3
InChI Key:
TUIOZPNRVFYXAM-UHFFFAOYSA-N
SMILES:
O=CCc1c(C)n(c2c1cc(Cl)cc2)C(c1ccccc1)c1ccccc1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.123g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.88g/mol
Monoisotopic Mass:
373.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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