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155891-94-4 | Benzene, 5-bromo-1,3-dichloro-2-(phenylmethoxy)-
CAS No: 155891-94-4 Catalog No: AG001OBI MDL No:MFCD11617257
Product Description
Catalog Number:
AG001OBI
Chemical Name:
Benzene, 5-bromo-1,3-dichloro-2-(phenylmethoxy)-
CAS Number:
155891-94-4
Molecular Formula:
C13H9BrCl2O
Molecular Weight:
332.0200
MDL Number:
MFCD11617257
IUPAC Name:
5-bromo-1,3-dichloro-2-phenylmethoxybenzene
InChI:
InChI=1S/C13H9BrCl2O/c14-10-6-11(15)13(12(16)7-10)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
IFBZRCLFOBNPKB-UHFFFAOYSA-N
SMILES:
Brc1cc(Cl)c(c(c1)Cl)OCc1ccccc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.921g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.018g/mol
Monoisotopic Mass:
329.921g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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