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57190-17-7 | 2-Bromo-1,3-diisopropylbenzene
CAS No: 57190-17-7 Catalog No: AG0032P9 MDL No:MFCD16876782
Product Description
Catalog Number:
AG0032P9
Chemical Name:
2-Bromo-1,3-diisopropylbenzene
CAS Number:
57190-17-7
Molecular Formula:
C12H17Br
Molecular Weight:
241.1674
MDL Number:
MFCD16876782
IUPAC Name:
2-bromo-1,3-di(propan-2-yl)benzene
InChI:
InChI=1S/C12H17Br/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3
InChI Key:
QEOQKWIURDCGIJ-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1Br)C(C)C)C
Properties
Complexity:
135
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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