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Home > Bromides > 1159826-60-4
1159826-60-4 | tert-Butyl 4'-bromomethyl-3',5'-difluorobiphenyl-2-carboxylate
CAS No: 1159826-60-4 Catalog No: AG01F64B MDL No:
Product Description
Catalog Number:
AG01F64B
Chemical Name:
tert-Butyl 4'-bromomethyl-3',5'-difluorobiphenyl-2-carboxylate
CAS Number:
1159826-60-4
Molecular Formula:
C18H17BrF2O2
Molecular Weight:
383.2272
IUPAC Name:
tert-butyl 2-[4-(bromomethyl)-3,5-difluorophenyl]benzoate
InChI:
InChI=1S/C18H17BrF2O2/c1-18(2,3)23-17(22)13-7-5-4-6-12(13)11-8-15(20)14(10-19)16(21)9-11/h4-9H,10H2,1-3H3
InChI Key:
FKPZANYEMCQSBD-UHFFFAOYSA-N
SMILES:
BrCc1c(F)cc(cc1F)c1ccccc1C(=O)OC(C)(C)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.038g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.233g/mol
Monoisotopic Mass:
382.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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