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126948-22-9 | 2-Pyrenamine, 7-nitro-
CAS No: 126948-22-9 Catalog No: AG000WGC MDL No:
Product Description
Catalog Number:
AG000WGC
Chemical Name:
2-Pyrenamine, 7-nitro-
CAS Number:
126948-22-9
Molecular Formula:
C16H10N2O2
Molecular Weight:
262.2628
IUPAC Name:
7-nitropyren-2-amine
InChI:
InChI=1S/C16H10N2O2/c17-13-5-9-1-3-11-7-14(18(19)20)8-12-4-2-10(6-13)15(9)16(11)12/h1-8H,17H2
InChI Key:
BUMIXRLQNTVYIN-UHFFFAOYSA-N
SMILES:
Nc1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-]
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.268g/mol
Monoisotopic Mass:
262.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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