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199805-99-7 | 1H-Indole-2-methanol, 5-nitro-
CAS No: 199805-99-7 Catalog No: AG002CCW MDL No:MFCD12828562
Product Description
Catalog Number:
AG002CCW
Chemical Name:
1H-Indole-2-methanol, 5-nitro-
CAS Number:
199805-99-7
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD12828562
IUPAC Name:
(5-nitro-1H-indol-2-yl)methanol
InChI:
InChI=1S/C9H8N2O3/c12-5-7-3-6-4-8(11(13)14)1-2-9(6)10-7/h1-4,10,12H,5H2
InChI Key:
MBLZQTIFEROREE-UHFFFAOYSA-N
SMILES:
OCc1cc2c([nH]1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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