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19014-16-5 | Methanone, bis(4-amino-3-nitrophenyl)-
CAS No: 19014-16-5 Catalog No: AG002ECL MDL No:MFCD00221859
Product Description
Catalog Number:
AG002ECL
Chemical Name:
Methanone, bis(4-amino-3-nitrophenyl)-
CAS Number:
19014-16-5
Molecular Formula:
C13H10N4O5
Molecular Weight:
302.2423
MDL Number:
MFCD00221859
IUPAC Name:
bis(4-amino-3-nitrophenyl)methanone
InChI:
InChI=1S/C13H10N4O5/c14-9-3-1-7(5-11(9)16(19)20)13(18)8-2-4-10(15)12(6-8)17(21)22/h1-6H,14-15H2
InChI Key:
AHJQYSHDQYHUNR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])N)c1ccc(c(c1)[N+](=O)[O-])N
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.246g/mol
Monoisotopic Mass:
302.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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