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13334-73-1 | Benzene, 1,5-dichloro-2-methoxy-3-methyl-
CAS No: 13334-73-1 Catalog No: AG0014Q2 MDL No:
Product Description
Catalog Number:
AG0014Q2
Chemical Name:
Benzene, 1,5-dichloro-2-methoxy-3-methyl-
CAS Number:
13334-73-1
Molecular Formula:
C8H8Cl2O
Molecular Weight:
191.0545
IUPAC Name:
1,5-dichloro-2-methoxy-3-methylbenzene
InChI:
InChI=1S/C8H8Cl2O/c1-5-3-6(9)4-7(10)8(5)11-2/h3-4H,1-2H3
InChI Key:
RVWKDYUWMPCPDS-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1Cl)Cl
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.051g/mol
Monoisotopic Mass:
189.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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