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1027215-80-0 | Benzene, 1-(2-bromoethyl)-2-fluoro-4-(trifluoromethyl)-
CAS No: 1027215-80-0 Catalog No: AG000878 MDL No:MFCD11110075
Product Description
Catalog Number:
AG000878
Chemical Name:
Benzene, 1-(2-bromoethyl)-2-fluoro-4-(trifluoromethyl)-
CAS Number:
1027215-80-0
Molecular Formula:
C9H7BrF4
Molecular Weight:
271.0495
MDL Number:
MFCD11110075
IUPAC Name:
1-(2-bromoethyl)-2-fluoro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H7BrF4/c10-4-3-6-1-2-7(5-8(6)11)9(12,13)14/h1-2,5H,3-4H2
InChI Key:
XNHOMASANKJWJJ-UHFFFAOYSA-N
SMILES:
BrCCc1ccc(cc1F)C(F)(F)F
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.967g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.053g/mol
Monoisotopic Mass:
269.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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