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155734-75-1 | Benzene, 1-(1-bromoethyl)-3-(1,1-dimethylethyl)-
CAS No: 155734-75-1 Catalog No: AG001O5B MDL No:
Product Description
Catalog Number:
AG001O5B
Chemical Name:
Benzene, 1-(1-bromoethyl)-3-(1,1-dimethylethyl)-
CAS Number:
155734-75-1
Molecular Formula:
C12H17Br
Molecular Weight:
241.1674
IUPAC Name:
1-(1-bromoethyl)-3-tert-butylbenzene
InChI:
InChI=1S/C12H17Br/c1-9(13)10-6-5-7-11(8-10)12(2,3)4/h5-9H,1-4H3
InChI Key:
QEISRFVBPFFHKI-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)C(C)(C)C)Br
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.172g/mol
Monoisotopic Mass:
240.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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