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101080-63-1 | Benzene, 2-chloro-1-(chloromethyl)-4-methoxy-
CAS No: 101080-63-1 Catalog No: AG0003OJ MDL No:MFCD12139149
Product Description
Catalog Number:
AG0003OJ
Chemical Name:
Benzene, 2-chloro-1-(chloromethyl)-4-methoxy-
CAS Number:
101080-63-1
Molecular Formula:
C8H8Cl2O
Molecular Weight:
191.0545
MDL Number:
MFCD12139149
IUPAC Name:
2-chloro-1-(chloromethyl)-4-methoxybenzene
InChI:
InChI=1S/C8H8Cl2O/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4H,5H2,1H3
InChI Key:
VCCMJKRDVTXQQC-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)Cl)CCl
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.051g/mol
Monoisotopic Mass:
189.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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