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32247-96-4 | 1-(Bromomethyl)-3,5-bis(trifluoromethyl)benzene
CAS No: 32247-96-4 Catalog No: AG003IK3 MDL No:MFCD00009905
Product Description
Catalog Number:
AG003IK3
Chemical Name:
1-(Bromomethyl)-3,5-bis(trifluoromethyl)benzene
CAS Number:
32247-96-4
Molecular Formula:
C9H5BrF6
Molecular Weight:
307.0304
MDL Number:
MFCD00009905
IUPAC Name:
1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2
InChI Key:
ATLQGZVLWOURFU-UHFFFAOYSA-N
SMILES:
BrCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
EC Number:
250-971-1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.948g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.033g/mol
Monoisotopic Mass:
305.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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