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130365-87-6 | Benzene, 1-(2-bromoethyl)-4-(trifluoromethyl)-
CAS No: 130365-87-6 Catalog No: AG000UBO MDL No:MFCD10567022
Product Description
Catalog Number:
AG000UBO
Chemical Name:
Benzene, 1-(2-bromoethyl)-4-(trifluoromethyl)-
CAS Number:
130365-87-6
Molecular Formula:
C9H8BrF3
Molecular Weight:
253.0590
MDL Number:
MFCD10567022
IUPAC Name:
1-(2-bromoethyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8BrF3/c10-6-5-7-1-3-8(4-2-7)9(11,12)13/h1-4H,5-6H2
InChI Key:
WTCVMJLGKMOROW-UHFFFAOYSA-N
SMILES:
BrCCc1ccc(cc1)C(F)(F)F
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.062g/mol
Monoisotopic Mass:
251.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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