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140908-96-9 | Benzoic acid, 2-(dodecylamino)-3,5-dinitro-
CAS No: 140908-96-9 Catalog No: AG001CZ6 MDL No:
Product Description
Catalog Number:
AG001CZ6
Chemical Name:
Benzoic acid, 2-(dodecylamino)-3,5-dinitro-
CAS Number:
140908-96-9
Molecular Formula:
C19H29N3O6
Molecular Weight:
395.4501
IUPAC Name:
2-(dodecylamino)-3,5-dinitrobenzoic acid
InChI:
InChI=1S/C19H29N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-20-18-16(19(23)24)13-15(21(25)26)14-17(18)22(27)28/h13-14,20H,2-12H2,1H3,(H,23,24)
InChI Key:
LSZFNRSUSQKRGQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.206g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.456g/mol
Monoisotopic Mass:
395.206g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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