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Home > Indoles and Oxindole > 6953-35-1
6953-35-1 | 1H-Indole-3-acetylchloride, 5-nitro-a-oxo-
CAS No: 6953-35-1 Catalog No: AG005XBF MDL No:
Product Description
Catalog Number:
AG005XBF
Chemical Name:
1H-Indole-3-acetylchloride, 5-nitro-a-oxo-
CAS Number:
6953-35-1
Molecular Formula:
C10H5ClN2O4
Molecular Weight:
252.6107
IUPAC Name:
2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl chloride
InChI:
InChI=1S/C10H5ClN2O4/c11-10(15)9(14)7-4-12-8-2-1-5(13(16)17)3-6(7)8/h1-4,12H
InChI Key:
ABMDPBTXKRNTSH-UHFFFAOYSA-N
SMILES:
ClC(=O)C(=O)c1c[nH]c2c1cc(cc2)[N+](=O)[O-]
NSC Number:
71254
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.994g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.61g/mol
Monoisotopic Mass:
251.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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