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954123-46-7 | 1-BROMO-3-(BROMOMETHYL)-5-(TRIFLUOROMETHYL)BENZENE
CAS No: 954123-46-7 Catalog No: AG0032PK MDL No:MFCD11044989
Product Description
Catalog Number:
AG0032PK
Chemical Name:
1-BROMO-3-(BROMOMETHYL)-5-(TRIFLUOROMETHYL)BENZENE
CAS Number:
954123-46-7
Molecular Formula:
C8H5Br2F3
Molecular Weight:
317.9285
MDL Number:
MFCD11044989
IUPAC Name:
1-bromo-3-(bromomethyl)-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5Br2F3/c9-4-5-1-6(8(11,12)13)3-7(10)2-5/h1-3H,4H2
InChI Key:
CRKZDDPRUZNPKL-UHFFFAOYSA-N
SMILES:
BrCc1cc(Br)cc(c1)C(F)(F)F
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.869g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.931g/mol
Monoisotopic Mass:
315.871g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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