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13334-71-9 | Benzene, 1-chloro-4-methoxy-2-methyl-
CAS No: 13334-71-9 Catalog No: AG0014PC MDL No:MFCD00086700
Product Description
Catalog Number:
AG0014PC
Chemical Name:
Benzene, 1-chloro-4-methoxy-2-methyl-
CAS Number:
13334-71-9
Molecular Formula:
C8H9ClO
Molecular Weight:
156.6095
MDL Number:
MFCD00086700
IUPAC Name:
1-chloro-4-methoxy-2-methylbenzene
InChI:
InChI=1S/C8H9ClO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3
InChI Key:
SDGMUBWPXBSKCT-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)Cl
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.034g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.609g/mol
Monoisotopic Mass:
156.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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