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31731-23-4 | 1H-Indole,3-(2-nitroethyl)-
CAS No: 31731-23-4 Catalog No: AG007IOO MDL No:
Product Description
Catalog Number:
AG007IOO
Chemical Name:
1H-Indole,3-(2-nitroethyl)-
CAS Number:
31731-23-4
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
3-(2-nitroethyl)-1H-indole
InChI:
InChI=1S/C10H10N2O2/c13-12(14)6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2
InChI Key:
WPXDYLYFORNDRP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCc1c[nH]c2c1cccc2
NSC Number:
63824
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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