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Home > Bromides > 1309932-78-2
1309932-78-2 | 3-Bromobenzyl-(3-chloro-4-fluorophenyl)ether
CAS No: 1309932-78-2 Catalog No: AG01FAM8 MDL No:
Product Description
Catalog Number:
AG01FAM8
Chemical Name:
3-Bromobenzyl-(3-chloro-4-fluorophenyl)ether
CAS Number:
1309932-78-2
Molecular Formula:
C13H9BrClFO
Molecular Weight:
315.5654
IUPAC Name:
4-[(3-bromophenyl)methoxy]-2-chloro-1-fluorobenzene
InChI:
InChI=1S/C13H9BrClFO/c14-10-3-1-2-9(6-10)8-17-11-4-5-13(16)12(15)7-11/h1-7H,8H2
InChI Key:
AFUDPLHDMWYBGU-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)COc1ccc(c(c1)Cl)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.951g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.566g/mol
Monoisotopic Mass:
313.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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