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101079-83-8 | Benzene, 1-chloro-2-(chloromethyl)-4-methoxy-
CAS No: 101079-83-8 Catalog No: AG0003NS MDL No:MFCD18393580
Product Description
Catalog Number:
AG0003NS
Chemical Name:
Benzene, 1-chloro-2-(chloromethyl)-4-methoxy-
CAS Number:
101079-83-8
Molecular Formula:
C8H8Cl2O
Molecular Weight:
191.0545
MDL Number:
MFCD18393580
IUPAC Name:
1-chloro-2-(chloromethyl)-4-methoxybenzene
InChI:
InChI=1S/C8H8Cl2O/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5H2,1H3
InChI Key:
FCQOCMSFQSGAQF-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)CCl)Cl
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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