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16214-14-5 | Benzene, 4-(chloromethyl)-1-methoxy-2-(1-methylethyl)-
CAS No: 16214-14-5 Catalog No: AG001SSI MDL No:
Product Description
Catalog Number:
AG001SSI
Chemical Name:
Benzene, 4-(chloromethyl)-1-methoxy-2-(1-methylethyl)-
CAS Number:
16214-14-5
Molecular Formula:
C11H15ClO
Molecular Weight:
198.6892
IUPAC Name:
4-(chloromethyl)-1-methoxy-2-propan-2-ylbenzene
InChI:
InChI=1S/C11H15ClO/c1-8(2)10-6-9(7-12)4-5-11(10)13-3/h4-6,8H,7H2,1-3H3
InChI Key:
SZDNVAYLSFZKJM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(C)C)CCl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.69g/mol
Monoisotopic Mass:
198.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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