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124979-30-2 | Benzene, 1-chloro-3-ethynyl-2,4-dimethoxy-
CAS No: 124979-30-2 Catalog No: AG000MXZ MDL No:
Product Description
Catalog Number:
AG000MXZ
Chemical Name:
Benzene, 1-chloro-3-ethynyl-2,4-dimethoxy-
CAS Number:
124979-30-2
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
IUPAC Name:
1-chloro-3-ethynyl-2,4-dimethoxybenzene
InChI:
InChI=1S/C10H9ClO2/c1-4-7-9(12-2)6-5-8(11)10(7)13-3/h1,5-6H,2-3H3
InChI Key:
LMCODXPZYXITIU-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C#C)OC)Cl
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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