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22934-60-7 | 1,3-Benzodioxole, 6-(chloromethyl)-4-methoxy-
CAS No: 22934-60-7 Catalog No: AG002LKU MDL No:
Product Description
Catalog Number:
AG002LKU
Chemical Name:
1,3-Benzodioxole, 6-(chloromethyl)-4-methoxy-
CAS Number:
22934-60-7
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
IUPAC Name:
6-(chloromethyl)-4-methoxy-1,3-benzodioxole
InChI:
InChI=1S/C9H9ClO3/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-3H,4-5H2,1H3
InChI Key:
ZAQHXEGRPZFNON-UHFFFAOYSA-N
SMILES:
COc1cc(CCl)cc2c1OCO2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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