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Home > Nitro Compounds > 80179-81-3
80179-81-3 | Carbamic acid, (3,5-dinitrophenyl)methyl-, methyl ester
CAS No: 80179-81-3 Catalog No: AG0054DW MDL No:
Product Description
Catalog Number:
AG0054DW
Chemical Name:
Carbamic acid, (3,5-dinitrophenyl)methyl-, methyl ester
CAS Number:
80179-81-3
Molecular Formula:
C9H9N3O6
Molecular Weight:
255.1843
IUPAC Name:
methyl N-[(3,5-dinitrophenyl)methyl]carbamate
InChI:
InChI=1S/C9H9N3O6/c1-18-9(13)10-5-6-2-7(11(14)15)4-8(3-6)12(16)17/h2-4H,5H2,1H3,(H,10,13)
InChI Key:
IHAIDPHSNOPENR-UHFFFAOYSA-N
SMILES:
COC(=O)NCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.186g/mol
Monoisotopic Mass:
255.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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