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Home > Nitro Compounds > 58624-47-8
58624-47-8 | 3,5-dinitro-N-(pyridin-3-ylmethyl)benzamide
CAS No: 58624-47-8 Catalog No: AG01ACVQ MDL No:MFCD00495413
Product Description
Catalog Number:
AG01ACVQ
Chemical Name:
3,5-dinitro-N-(pyridin-3-ylmethyl)benzamide
CAS Number:
58624-47-8
Molecular Formula:
C13H10N4O5
Molecular Weight:
302.2423
MDL Number:
MFCD00495413
IUPAC Name:
3,5-dinitro-N-(pyridin-3-ylmethyl)benzamide
InChI:
InChI=1S/C13H10N4O5/c18-13(15-8-9-2-1-3-14-7-9)10-4-11(16(19)20)6-12(5-10)17(21)22/h1-7H,8H2,(H,15,18)
InChI Key:
FJCYLVQFDZVCHN-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])NCc1cccnc1
Properties
Complexity:
411
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:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.246g/mol
Monoisotopic Mass:
302.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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