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10056-18-5 | BenzaMide, 3,5-dinitro-N-propyl-
CAS No: 10056-18-5 Catalog No: AG0002CT MDL No:
Product Description
Catalog Number:
AG0002CT
Chemical Name:
BenzaMide, 3,5-dinitro-N-propyl-
CAS Number:
10056-18-5
Molecular Formula:
C10H11N3O5
Molecular Weight:
253.2114
IUPAC Name:
3,5-dinitro-N-propylbenzamide
InChI:
InChI=1S/C10H11N3O5/c1-2-3-11-10(14)7-4-8(12(15)16)6-9(5-7)13(17)18/h4-6H,2-3H2,1H3,(H,11,14)
InChI Key:
LTJACLQPFWDXMR-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.214g/mol
Monoisotopic Mass:
253.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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