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174913-61-2 | 2,4-Dichloro-3,5-dibromoanisole
CAS No: 174913-61-2 Catalog No: AG01FEXU MDL No:MFCD11845929
Product Description
Catalog Number:
AG01FEXU
Chemical Name:
2,4-Dichloro-3,5-dibromoanisole
CAS Number:
174913-61-2
Molecular Formula:
C7H4Br2Cl2O
Molecular Weight:
334.8201
MDL Number:
MFCD11845929
IUPAC Name:
1,3-dibromo-2,4-dichloro-5-methoxybenzene
InChI:
InChI=1S/C7H4Br2Cl2O/c1-12-4-2-3(8)6(10)5(9)7(4)11/h2H,1H3
InChI Key:
ZINBPEIRRFSAMW-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(c(c1Cl)Br)Cl
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.799g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.816g/mol
Monoisotopic Mass:
331.801g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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