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Home > Bromides > 1275853-29-6
1275853-29-6 | 4-Bromobenzyl-(2-chloro-4-fluorophenyl)ether
CAS No: 1275853-29-6 Catalog No: AG01FAM0 MDL No:
Product Description
Catalog Number:
AG01FAM0
Chemical Name:
4-Bromobenzyl-(2-chloro-4-fluorophenyl)ether
CAS Number:
1275853-29-6
Molecular Formula:
C13H9BrClFO
Molecular Weight:
315.5654
IUPAC Name:
1-[(4-bromophenyl)methoxy]-2-chloro-4-fluorobenzene
InChI:
InChI=1S/C13H9BrClFO/c14-10-3-1-9(2-4-10)8-17-13-6-5-11(16)7-12(13)15/h1-7H,8H2
InChI Key:
VQCAFJOIDLKPNG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)COc1ccc(cc1Cl)F
Properties
Complexity:
234
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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