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1250595-14-2 | Benzene, 1-(2-chloroethyl)-2,3-dimethyl-
CAS No: 1250595-14-2 Catalog No: AG000N22 MDL No:
Product Description
Catalog Number:
AG000N22
Chemical Name:
Benzene, 1-(2-chloroethyl)-2,3-dimethyl-
CAS Number:
1250595-14-2
Molecular Formula:
C10H13Cl
Molecular Weight:
168.6632
IUPAC Name:
1-(2-chloroethyl)-2,3-dimethylbenzene
InChI:
InChI=1S/C10H13Cl/c1-8-4-3-5-10(6-7-11)9(8)2/h3-5H,6-7H2,1-2H3
InChI Key:
JZQNOCDNEFYNCT-UHFFFAOYSA-N
SMILES:
Cc1c(CCCl)cccc1C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.664g/mol
Monoisotopic Mass:
168.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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