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1256479-47-6 | 3-(4-Chloro-3,5-dimethylphenyl)-1-propene
CAS No: 1256479-47-6 Catalog No: AG01FBJK MDL No:
Product Description
Catalog Number:
AG01FBJK
Chemical Name:
3-(4-Chloro-3,5-dimethylphenyl)-1-propene
CAS Number:
1256479-47-6
Molecular Formula:
C11H13Cl
Molecular Weight:
180.6739
IUPAC Name:
2-chloro-1,3-dimethyl-5-prop-2-enylbenzene
InChI:
InChI=1S/C11H13Cl/c1-4-5-10-6-8(2)11(12)9(3)7-10/h4,6-7H,1,5H2,2-3H3
InChI Key:
NYYMLXVMTJQUDU-UHFFFAOYSA-N
SMILES:
C=CCc1cc(C)c(c(c1)C)Cl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.675g/mol
Monoisotopic Mass:
180.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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