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125273-42-9

125273-42-9 | Carbamic acid, N-(2,2,2-trifluoro-1-phenylethylidene)-, methyl ester

CAS No: 125273-42-9 Catalog No: AG000NEQ MDL No:

Product Description

Catalog Number:
AG000NEQ
Chemical Name:
Carbamic acid, N-(2,2,2-trifluoro-1-phenylethylidene)-, methyl ester
CAS Number:
125273-42-9
Molecular Formula:
C10H8F3NO2
Molecular Weight:
231.1712
IUPAC Name:
methyl N-(2,2,2-trifluoro-1-phenylethylidene)carbamate
InChI:
InChI=1S/C10H8F3NO2/c1-16-9(15)14-8(10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:
ZXRIWPFKTKGJCW-UHFFFAOYSA-N
SMILES:
COC(=O)N=C(C(F)(F)F)c1ccccc1

Properties

Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.174g/mol
Monoisotopic Mass:
231.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.2  

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