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1736-43-2

1736-43-2 | Carbamic acid, (3,4-dichlorophenyl)-, 2,2,2-trifluoroethyl ester (9CI)

CAS No: 1736-43-2 Catalog No: AG001Z2D MDL No:MFCD00438640

Product Description

Catalog Number:
AG001Z2D
Chemical Name:
Carbamic acid, (3,4-dichlorophenyl)-, 2,2,2-trifluoroethyl ester (9CI)
CAS Number:
1736-43-2
Molecular Formula:
C9H6Cl2F3NO2
Molecular Weight:
288.0506
MDL Number:
MFCD00438640
IUPAC Name:
2,2,2-trifluoroethyl N-(3,4-dichlorophenyl)carbamate
InChI:
InChI=1S/C9H6Cl2F3NO2/c10-6-2-1-5(3-7(6)11)15-8(16)17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChI Key:
RDKOSUXOQXDVPH-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)Cl)Cl)OCC(F)(F)F

Properties

Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.973g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.047g/mol
Monoisotopic Mass:
286.973g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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