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Home > Nitro Compounds > 15690-54-7
15690-54-7 | Carbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-bis(4-nitrophenyl) ester
CAS No: 15690-54-7 Catalog No: AG001P2F MDL No:
Product Description
Catalog Number:
AG001P2F
Chemical Name:
Carbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-bis(4-nitrophenyl) ester
CAS Number:
15690-54-7
Molecular Formula:
C21H16N4O8
Molecular Weight:
452.3737
IUPAC Name:
(4-nitrophenyl) N-[2-methyl-5-[(4-nitrophenoxy)carbonylamino]phenyl]carbamate
InChI:
InChI=1S/C21H16N4O8/c1-13-2-3-14(22-20(26)32-17-8-4-15(5-9-17)24(28)29)12-19(13)23-21(27)33-18-10-6-16(7-11-18)25(30)31/h2-12H,1H3,(H,22,26)(H,23,27)
InChI Key:
DNVSZCZZFZEHDP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)NC(=O)Oc1ccc(cc1)[N+](=O)[O-])C)Oc1ccc(cc1)[N+](=O)[O-]
EC Number:
239-788-8
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.097g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
452.379g/mol
Monoisotopic Mass:
452.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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