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88229-94-1 | 1,1':3',1''-Terphenyl, 3,3''-bis(bromomethyl)-2,2',2''-trifluoro-
CAS No: 88229-94-1 Catalog No: AG004B4A MDL No:
Product Description
Catalog Number:
AG004B4A
Chemical Name:
1,1':3',1''-Terphenyl, 3,3''-bis(bromomethyl)-2,2',2''-trifluoro-
CAS Number:
88229-94-1
Molecular Formula:
C20H13Br2F3
Molecular Weight:
470.1204
IUPAC Name:
1,3-bis[3-(bromomethyl)-2-fluorophenyl]-2-fluorobenzene
InChI:
InChI=1S/C20H13Br2F3/c21-10-12-4-1-6-14(18(12)23)16-8-3-9-17(20(16)25)15-7-2-5-13(11-22)19(15)24/h1-9H,10-11H2
InChI Key:
AAPAGAXIVYUMPP-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1F)c1cccc(c1F)c1cccc(c1F)CBr
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.932g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.127g/mol
Monoisotopic Mass:
467.934g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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