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14804-27-4 | Benzene, 5-chloro-2-methoxy-1,3-dimethyl-
CAS No: 14804-27-4 Catalog No: AG001FEF MDL No:
Product Description
Catalog Number:
AG001FEF
Chemical Name:
Benzene, 5-chloro-2-methoxy-1,3-dimethyl-
CAS Number:
14804-27-4
Molecular Formula:
C9H11ClO
Molecular Weight:
170.6360
IUPAC Name:
5-chloro-2-methoxy-1,3-dimethylbenzene
InChI:
InChI=1S/C9H11ClO/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,1-3H3
InChI Key:
MXAOCQCPDIIBGZ-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)Cl
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.05g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.636g/mol
Monoisotopic Mass:
170.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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