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61342-04-9 | 4-Butylbenzotrifluoride
CAS No: 61342-04-9 Catalog No: AG01EWNI MDL No:MFCD14525528
Product Description
Catalog Number:
AG01EWNI
Chemical Name:
4-Butylbenzotrifluoride
CAS Number:
61342-04-9
Molecular Formula:
C11H13F3
Molecular Weight:
202.2161
MDL Number:
MFCD14525528
IUPAC Name:
1-butyl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C11H13F3/c1-2-3-4-9-5-7-10(8-6-9)11(12,13)14/h5-8H,2-4H2,1H3
InChI Key:
BYTSRLZSSBMPSN-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(F)(F)F
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.22g/mol
Monoisotopic Mass:
202.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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