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Home > Nitro Compounds > 13278-82-5
13278-82-5 | Carbamic acid, (4-nitrophenoxy)-, ethyl ester (9CI)
CAS No: 13278-82-5 Catalog No: AG00115Q MDL No:
Product Description
Catalog Number:
AG00115Q
Chemical Name:
Carbamic acid, (4-nitrophenoxy)-, ethyl ester (9CI)
CAS Number:
13278-82-5
Molecular Formula:
C9H10N2O5
Molecular Weight:
226.1861
IUPAC Name:
ethyl N-(4-nitrophenoxy)carbamate
InChI:
InChI=1S/C9H10N2O5/c1-2-15-9(12)10-16-8-5-3-7(4-6-8)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChI Key:
FPAXHAZAPQZSHK-UHFFFAOYSA-N
SMILES:
CCOC(=O)NOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.188g/mol
Monoisotopic Mass:
226.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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