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1197-97-3 | Benzene, (3-bromo-1,1-dimethylpropyl)-
CAS No: 1197-97-3 Catalog No: AG000PHI MDL No:MFCD18762052
Product Description
Catalog Number:
AG000PHI
Chemical Name:
Benzene, (3-bromo-1,1-dimethylpropyl)-
CAS Number:
1197-97-3
Molecular Formula:
C11H15Br
Molecular Weight:
227.1408
MDL Number:
MFCD18762052
IUPAC Name:
(4-bromo-2-methylbutan-2-yl)benzene
InChI:
InChI=1S/C11H15Br/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChI Key:
HYBMCTHMOSBLGN-UHFFFAOYSA-N
SMILES:
BrCCC(c1ccccc1)(C)C
NSC Number:
54366
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.145g/mol
Monoisotopic Mass:
226.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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