Home Halogens 4-bromo-1-isopropyl-2-methylbenzene

4-bromo-1-isopropyl-2-methylbenzene

CAS No.:
17821-06-6
Catalog Number:
AG01C82S
Molecular Formula:
C10H13Br
Molecular Weight:
213.1142
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Product Description
Catalog Number:
AG01C82S
Chemical Name:
4-bromo-1-isopropyl-2-methylbenzene
CAS Number:
17821-06-6
Molecular Formula:
C10H13Br
Molecular Weight:
213.1142
MDL Number:
MFCD27946280
IUPAC Name:
4-bromo-2-methyl-1-propan-2-ylbenzene
InChI:
InChI=1S/C10H13Br/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7H,1-3H3
InChI Key:
PUKYTSMWXQOQKI-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C)C(C)C
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.118g/mol
Monoisotopic Mass:
212.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties