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15807-82-6 | Benzaldehyde, 2-nitro-4-(3-nitrobenzoyl)-
CAS No: 15807-82-6 Catalog No: AG001PZ5 MDL No:
Product Description
Catalog Number:
AG001PZ5
Chemical Name:
Benzaldehyde, 2-nitro-4-(3-nitrobenzoyl)-
CAS Number:
15807-82-6
Molecular Formula:
C14H8N2O6
Molecular Weight:
300.2231
IUPAC Name:
2-nitro-4-(3-nitrobenzoyl)benzaldehyde
InChI:
InChI=1S/C14H8N2O6/c17-8-11-5-4-10(7-13(11)16(21)22)14(18)9-2-1-3-12(6-9)15(19)20/h1-8H
InChI Key:
WNCOVNOWKMHGPW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.038g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.226g/mol
Monoisotopic Mass:
300.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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