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42981-94-2 | Benzene, 1-(chloromethyl)-3-methoxy-2-methyl-
CAS No: 42981-94-2 Catalog No: AG01FAHU MDL No:
Product Description
Catalog Number:
AG01FAHU
Chemical Name:
Benzene, 1-(chloromethyl)-3-methoxy-2-methyl-
CAS Number:
42981-94-2
Molecular Formula:
C9H11ClO
Molecular Weight:
170.6360
IUPAC Name:
1-(chloromethyl)-3-methoxy-2-methylbenzene
InChI:
InChI=1S/C9H11ClO/c1-7-8(6-10)4-3-5-9(7)11-2/h3-5H,6H2,1-2H3
InChI Key:
RNIWKEKQJWKJMS-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1C)OC
Properties
Complexity:
116
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:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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