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Home > Indoles and Oxindole > 85094-94-6
85094-94-6 | 1H-Indole-2-carbonyl chloride, 5-(phenylmethyl)-
CAS No: 85094-94-6 Catalog No: AG004RN3 MDL No:
Product Description
Catalog Number:
AG004RN3
Chemical Name:
1H-Indole-2-carbonyl chloride, 5-(phenylmethyl)-
CAS Number:
85094-94-6
Molecular Formula:
C16H12ClNO
Molecular Weight:
269.7256
IUPAC Name:
5-benzyl-1H-indole-2-carbonyl chloride
InChI:
InChI=1S/C16H12ClNO/c17-16(19)15-10-13-9-12(6-7-14(13)18-15)8-11-4-2-1-3-5-11/h1-7,9-10,18H,8H2
InChI Key:
CURPXYYHFCGPRS-UHFFFAOYSA-N
SMILES:
ClC(=O)c1[nH]c2c(c1)cc(cc2)Cc1ccccc1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.728g/mol
Monoisotopic Mass:
269.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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