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Home Halogens 2,2,2-trifluoroethyl N-(3-chloro-4-methylphenyl)carbamate

2,2,2-trifluoroethyl N-(3-chloro-4-methylphenyl)carbamate

CAS No.:
877964-35-7
Catalog Number:
AG019OZT
Molecular Formula:
C10H9ClF3NO2
Molecular Weight:
267.6322
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Product Description
Catalog Number:
AG019OZT
Chemical Name:
2,2,2-trifluoroethyl N-(3-chloro-4-methylphenyl)carbamate
CAS Number:
877964-35-7
Molecular Formula:
C10H9ClF3NO2
Molecular Weight:
267.6322
MDL Number:
MFCD07850244
IUPAC Name:
2,2,2-trifluoroethyl N-(3-chloro-4-methylphenyl)carbamate
InChI:
InChI=1S/C10H9ClF3NO2/c1-6-2-3-7(4-8(6)11)15-9(16)17-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChI Key:
QYFYAIXYWODHGE-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)Cl)C)OCC(F)(F)F
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.027g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.632g/mol
Monoisotopic Mass:
267.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties