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1221272-94-1

1221272-94-1 | 1-Nitro-4-(2,2,2-trifluoro-1-methyl-ethyl)benzene

CAS No: 1221272-94-1 Catalog No: AG01FOFZ MDL No:

Product Description

Catalog Number:
AG01FOFZ
Chemical Name:
1-Nitro-4-(2,2,2-trifluoro-1-methyl-ethyl)benzene
CAS Number:
1221272-94-1
IUPAC Name:
1-nitro-4-(1,1,1-trifluoropropan-2-yl)benzene
InChI:
InChI=1S/C9H8F3NO2/c1-6(9(10,11)12)7-2-4-8(5-3-7)13(14)15/h2-6H,1H3
InChI Key:
NEEBNUPDRJLNCP-UHFFFAOYSA-N

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.163g/mol
Monoisotopic Mass:
219.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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