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Home > Indoles and Oxindole > 823207-06-3
823207-06-3 | 1H-Benz[e]indole-2-carbonyl chloride, 1,1-dimethyl-
CAS No: 823207-06-3 Catalog No: AG0054JJ MDL No:
Product Description
Catalog Number:
AG0054JJ
Chemical Name:
1H-Benz[e]indole-2-carbonyl chloride, 1,1-dimethyl-
CAS Number:
823207-06-3
Molecular Formula:
C15H12ClNO
Molecular Weight:
257.7149
IUPAC Name:
1,1-dimethylbenzo[e]indole-2-carbonyl chloride
InChI:
InChI=1S/C15H12ClNO/c1-15(2)12-10-6-4-3-5-9(10)7-8-11(12)17-13(15)14(16)18/h3-8H,1-2H3
InChI Key:
OQZFGYQAWAICOI-UHFFFAOYSA-N
SMILES:
ClC(=O)C1=Nc2c(C1(C)C)c1ccccc1cc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.717g/mol
Monoisotopic Mass:
257.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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