Home Halogens 1-(2-chloroethyl)-3-methylbenzene

1-(2-chloroethyl)-3-methylbenzene

CAS No.:
39199-36-5
Catalog Number:
AG00CRKP
Molecular Formula:
C9H11Cl
Molecular Weight:
154.6366
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Product Description
Catalog Number:
AG00CRKP
Chemical Name:
1-(2-chloroethyl)-3-methylbenzene
CAS Number:
39199-36-5
Molecular Formula:
C9H11Cl
Molecular Weight:
154.6366
MDL Number:
MFCD11110036
IUPAC Name:
1-(2-chloroethyl)-3-methylbenzene
InChI:
InChI=1S/C9H11Cl/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5-6H2,1H3
InChI Key:
PTUMKQUZCDYESZ-UHFFFAOYSA-N
SMILES:
ClCCc1cccc(c1)C
Properties
Complexity:
90.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.055g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.637g/mol
Monoisotopic Mass:
154.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties