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Home > Nitro Compounds > 73758-36-8
73758-36-8 | Carbamic acid, ethyl-,2-(1-methylpropyl)-4,6-dinitrophenyl ester (9CI)
CAS No: 73758-36-8 Catalog No: AG005LIY MDL No:
Product Description
Catalog Number:
AG005LIY
Chemical Name:
Carbamic acid, ethyl-,2-(1-methylpropyl)-4,6-dinitrophenyl ester (9CI)
CAS Number:
73758-36-8
Molecular Formula:
C13H16N3O6-
Molecular Weight:
310.2826
IUPAC Name:
(2-butan-2-yl-4,6-dinitrophenyl) N-ethylcarbamate
InChI:
InChI=1S/C13H17N3O6/c1-4-8(3)10-6-9(15(18)19)7-11(16(20)21)12(10)22-13(17)14-5-2/h6-8H,4-5H2,1-3H3,(H,14,17)
InChI Key:
OMLPCLNQAATCEG-UHFFFAOYSA-N
SMILES:
CCC(c1cc(cc(c1N(C(=O)[O-])CC)[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.112g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.294g/mol
Monoisotopic Mass:
311.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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