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138109-89-4 | Carbamic acid, (2-nitrophenyl)-, 2,2,2-trichloroethyl ester (9CI)
CAS No: 138109-89-4 Catalog No: AG0017ZN MDL No:
Product Description
Catalog Number:
AG0017ZN
Chemical Name:
Carbamic acid, (2-nitrophenyl)-, 2,2,2-trichloroethyl ester (9CI)
CAS Number:
138109-89-4
Molecular Formula:
C9H7Cl3N2O4
Molecular Weight:
313.5219
IUPAC Name:
2,2,2-trichloroethyl N-(2-nitrophenyl)carbamate
InChI:
InChI=1S/C9H7Cl3N2O4/c10-9(11,12)5-18-8(15)13-6-3-1-2-4-7(6)14(16)17/h1-4H,5H2,(H,13,15)
InChI Key:
FHLQHKZQHMGVKB-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1[N+](=O)[O-])OCC(Cl)(Cl)Cl
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.947g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.515g/mol
Monoisotopic Mass:
311.947g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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