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82212-51-9 | Benzene, 1-(chloromethyl)-2-methoxy-3-methyl-
CAS No: 82212-51-9 Catalog No: AG005H6A MDL No:
Product Description
Catalog Number:
AG005H6A
Chemical Name:
Benzene, 1-(chloromethyl)-2-methoxy-3-methyl-
CAS Number:
82212-51-9
Molecular Formula:
C9H11ClO
Molecular Weight:
170.6360
IUPAC Name:
1-(chloromethyl)-2-methoxy-3-methylbenzene
InChI:
InChI=1S/C9H11ClO/c1-7-4-3-5-8(6-10)9(7)11-2/h3-5H,6H2,1-2H3
InChI Key:
HUTTZQCKRYHIRP-UHFFFAOYSA-N
SMILES:
COc1c(CCl)cccc1C
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:
3
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