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88041-87-6 | Benzene, 1-[(chloromethoxy)methyl]-2-methyl-
CAS No: 88041-87-6 Catalog No: AG004J4S MDL No:
Product Description
Catalog Number:
AG004J4S
Chemical Name:
Benzene, 1-[(chloromethoxy)methyl]-2-methyl-
CAS Number:
88041-87-6
Molecular Formula:
C9H11ClO
Molecular Weight:
170.6360
IUPAC Name:
1-(chloromethoxymethyl)-2-methylbenzene
InChI:
InChI=1S/C9H11ClO/c1-8-4-2-3-5-9(8)6-11-7-10/h2-5H,6-7H2,1H3
InChI Key:
PEDBYJGJBGFICO-UHFFFAOYSA-N
SMILES:
ClCOCc1ccccc1C
Properties
Complexity:
106
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:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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