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Home > Indoles and Oxindole > 121217-72-9
121217-72-9 | 1H-Indole-2-carbonyl chloride, 1-methyl-5-nitro-
CAS No: 121217-72-9 Catalog No: AG0080MK MDL No:
Product Description
Catalog Number:
AG0080MK
Chemical Name:
1H-Indole-2-carbonyl chloride, 1-methyl-5-nitro-
CAS Number:
121217-72-9
Molecular Formula:
C10H7ClN2O3
Molecular Weight:
238.6272
IUPAC Name:
1-methyl-5-nitroindole-2-carbonyl chloride
InChI:
InChI=1S/C10H7ClN2O3/c1-12-8-3-2-7(13(15)16)4-6(8)5-9(12)10(11)14/h2-5H,1H3
InChI Key:
WUGMCRVXMNURLJ-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc2c(n1C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.627g/mol
Monoisotopic Mass:
238.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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