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Home > Nitro Compounds > 81326-64-9
81326-64-9 | 9H-Carbazole-9-methanol, 3-nitro-
CAS No: 81326-64-9 Catalog No: AG00533Z MDL No:
Product Description
Catalog Number:
AG00533Z
Chemical Name:
9H-Carbazole-9-methanol, 3-nitro-
CAS Number:
81326-64-9
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
IUPAC Name:
(3-nitrocarbazol-9-yl)methanol
InChI:
InChI=1S/C13H10N2O3/c16-8-14-12-4-2-1-3-10(12)11-7-9(15(17)18)5-6-13(11)14/h1-7,16H,8H2
InChI Key:
ASUDFRIQMUWKAH-UHFFFAOYSA-N
SMILES:
OCn1c2ccc(cc2c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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