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30269-01-3 | 1-Pyrenamine, 6-nitro-
CAS No: 30269-01-3 Catalog No: AG002ZEQ MDL No:
Product Description
Catalog Number:
AG002ZEQ
Chemical Name:
1-Pyrenamine, 6-nitro-
CAS Number:
30269-01-3
Molecular Formula:
C16H10N2O2
Molecular Weight:
262.2628
IUPAC Name:
6-nitropyren-1-amine
InChI:
InChI=1S/C16H10N2O2/c17-13-7-3-9-2-6-12-14(18(19)20)8-4-10-1-5-11(13)15(9)16(10)12/h1-8H,17H2
InChI Key:
LEMZVQDZDPOLAQ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-]
Properties
Complexity:
408
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:
4.1
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