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13726-18-6 | Benzene, 1-chloro-4-(chloromethyl)-2-methoxy-
CAS No: 13726-18-6 Catalog No: AG00130O MDL No:MFCD18393581
Product Description
Catalog Number:
AG00130O
Chemical Name:
Benzene, 1-chloro-4-(chloromethyl)-2-methoxy-
CAS Number:
13726-18-6
Molecular Formula:
C8H8Cl2O
Molecular Weight:
191.0545
MDL Number:
MFCD18393581
IUPAC Name:
1-chloro-4-(chloromethyl)-2-methoxybenzene
InChI:
InChI=1S/C8H8Cl2O/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4H,5H2,1H3
InChI Key:
WMRRGRXKYOAUQD-UHFFFAOYSA-N
SMILES:
COc1cc(CCl)ccc1Cl
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:
2.9
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