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138762-98-8 | Benzene, 1-chloro-2,3-bis(chloromethyl)-4-methoxy-
CAS No: 138762-98-8 Catalog No: AG0019HG MDL No:
Product Description
Catalog Number:
AG0019HG
Chemical Name:
Benzene, 1-chloro-2,3-bis(chloromethyl)-4-methoxy-
CAS Number:
138762-98-8
Molecular Formula:
C9H9Cl3O
Molecular Weight:
239.5262
IUPAC Name:
1-chloro-2,3-bis(chloromethyl)-4-methoxybenzene
InChI:
InChI=1S/C9H9Cl3O/c1-13-9-3-2-8(12)6(4-10)7(9)5-11/h2-3H,4-5H2,1H3
InChI Key:
JVVUGOCNFDHJBW-UHFFFAOYSA-N
SMILES:
ClCc1c(OC)ccc(c1CCl)Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.52g/mol
Monoisotopic Mass:
237.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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