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93449-07-1

93449-07-1 | Benzene, 1-(1-bromo-1-methylethyl)-4-chloro-

CAS No: 93449-07-1 Catalog No: AG006FXI MDL No:

Product Description

Catalog Number:
AG006FXI
Chemical Name:
Benzene, 1-(1-bromo-1-methylethyl)-4-chloro-
CAS Number:
93449-07-1
Molecular Formula:
C9H10BrCl
Molecular Weight:
233.5327
IUPAC Name:
1-(2-bromopropan-2-yl)-4-chlorobenzene
InChI:
InChI=1S/C9H10BrCl/c1-9(2,10)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChI Key:
MDWSMBKRQRJNKR-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Cl)(Br)C

Properties

Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.965g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.533g/mol
Monoisotopic Mass:
231.965g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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