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114504-08-4

114504-08-4 | Benzene, butyltrichloromethyl- (9CI)

CAS No: 114504-08-4 Catalog No: AG000ELL MDL No:

Product Description

Catalog Number:
AG000ELL
Chemical Name:
Benzene, butyltrichloromethyl- (9CI)
CAS Number:
114504-08-4
Molecular Formula:
C11H13Cl3
Molecular Weight:
251.5799
IUPAC Name:
1-butyl-2-(trichloromethyl)benzene
InChI:
InChI=1S/C11H13Cl3/c1-2-3-6-9-7-4-5-8-10(9)11(12,13)14/h4-5,7-8H,2-3,6H2,1H3
InChI Key:
FHNDJVGSTUSHBM-UHFFFAOYSA-N
SMILES:
CCCCc1ccccc1C(Cl)(Cl)Cl

Properties

Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.008g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.575g/mol
Monoisotopic Mass:
250.008g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  

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