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Home > Indoles and Oxindole > 84584-89-4
84584-89-4 | 1H-Indole, 3-[(1Z)-2-nitro-1-propenyl]-
CAS No: 84584-89-4 Catalog No: AG004QZV MDL No:
Product Description
Catalog Number:
AG004QZV
Chemical Name:
1H-Indole, 3-[(1Z)-2-nitro-1-propenyl]-
CAS Number:
84584-89-4
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
3-(2-nitroprop-1-enyl)-1H-indole
InChI:
InChI=1S/C11H10N2O2/c1-8(13(14)15)6-9-7-12-11-5-3-2-4-10(9)11/h2-7,12H,1H3
InChI Key:
BPAQTDYDNBMYAM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C(=C\c1c[nH]c2c1cccc2)/C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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