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1585-16-6 | Benzene, 2-(chloromethyl)-1,3,5-trimethyl-
CAS No: 1585-16-6 Catalog No: AG001Q8J MDL No:MFCD00000901
Product Description
Catalog Number:
AG001Q8J
Chemical Name:
Benzene, 2-(chloromethyl)-1,3,5-trimethyl-
CAS Number:
1585-16-6
Molecular Formula:
C10H13Cl
Molecular Weight:
168.6632
MDL Number:
MFCD00000901
IUPAC Name:
2-(chloromethyl)-1,3,5-trimethylbenzene
InChI:
InChI=1S/C10H13Cl/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3
InChI Key:
UNRGEIXQCZHICP-UHFFFAOYSA-N
SMILES:
ClCc1c(C)cc(cc1C)C
EC Number:
216-440-3
NSC Number:
405484
Properties
Complexity:
110
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:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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