Home Halogens 2-(1-chloroethyl)-1,4-dimethylbenzene

2-(1-chloroethyl)-1,4-dimethylbenzene

CAS No.:
57527-74-9
Catalog Number:
AG00ER8I
Molecular Formula:
C10H13Cl
Molecular Weight:
168.6632
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Product Description
Catalog Number:
AG00ER8I
Chemical Name:
2-(1-chloroethyl)-1,4-dimethylbenzene
CAS Number:
57527-74-9
Molecular Formula:
C10H13Cl
Molecular Weight:
168.6632
MDL Number:
MFCD11186460
IUPAC Name:
2-(1-chloroethyl)-1,4-dimethylbenzene
InChI:
InChI=1S/C10H13Cl/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6,9H,1-3H3
InChI Key:
ZPBVKSBGMQFLMA-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(Cl)C)C
EC Number:
260-793-6
Properties
Complexity:
122  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Stereochemical investigations of a novel class of chiral phosphapalladacycle complexes derived from 1-[(2,5-dimethyl)phenyl]ethyldiphenylphosphine. Inorganic chemistry 20051226
Properties