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Home > Nitro Compounds > 2621-84-3
2621-84-3 | Carbamic acid, N-(2-nitrophenyl)-, ethyl ester
CAS No: 2621-84-3 Catalog No: AG002SA3 MDL No:
Product Description
Catalog Number:
AG002SA3
Chemical Name:
Carbamic acid, N-(2-nitrophenyl)-, ethyl ester
CAS Number:
2621-84-3
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
IUPAC Name:
ethyl N-(2-nitrophenyl)carbamate
InChI:
InChI=1S/C9H10N2O4/c1-2-15-9(12)10-7-5-3-4-6-8(7)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChI Key:
AUDONQPVYRSJNX-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccccc1[N+](=O)[O-]
NSC Number:
63361
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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