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138145-67-2 | Benzenamine, N,N-dicyclohexyl-2,4-dinitro-
CAS No: 138145-67-2 Catalog No: AG00181Z MDL No:
Product Description
Catalog Number:
AG00181Z
Chemical Name:
Benzenamine, N,N-dicyclohexyl-2,4-dinitro-
CAS Number:
138145-67-2
Molecular Formula:
C18H25N3O4
Molecular Weight:
347.4088
IUPAC Name:
N,N-dicyclohexyl-2,4-dinitroaniline
InChI:
InChI=1S/C18H25N3O4/c22-20(23)16-11-12-17(18(13-16)21(24)25)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-15H,1-10H2
InChI Key:
KKTVPHQHDYKTMM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N(C1CCCCC1)C1CCCCC1)[N+](=O)[O-]
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.415g/mol
Monoisotopic Mass:
347.185g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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