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174913-14-5 | Benzene, 2-bromo-1,4-dichloro-3-methoxy-
CAS No: 174913-14-5 Catalog No: AG00201W MDL No:
Product Description
Catalog Number:
AG00201W
Chemical Name:
Benzene, 2-bromo-1,4-dichloro-3-methoxy-
CAS Number:
174913-14-5
Molecular Formula:
C7H5BrCl2O
Molecular Weight:
255.9240
IUPAC Name:
2-bromo-1,4-dichloro-3-methoxybenzene
InChI:
InChI=1S/C7H5BrCl2O/c1-11-7-5(10)3-2-4(9)6(7)8/h2-3H,1H3
InChI Key:
BVSOVPUWHJWGEP-UHFFFAOYSA-N
SMILES:
COc1c(Cl)ccc(c1Br)Cl
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.89g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.92g/mol
Monoisotopic Mass:
253.89g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Determination of odorous mixed chloro-bromoanisoles in water by solid-phase micro-extraction and gas chromatography-mass detection. | Journal of chromatography. A 20050128 |
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