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7073-94-1 | 1-Bromo-2-isopropylbenzene
CAS No: 7073-94-1 Catalog No: AG003E2J MDL No:MFCD00051567
Product Description
Catalog Number:
AG003E2J
Chemical Name:
1-Bromo-2-isopropylbenzene
CAS Number:
7073-94-1
Molecular Formula:
C9H11Br
Molecular Weight:
199.0876
MDL Number:
MFCD00051567
IUPAC Name:
1-bromo-2-propan-2-ylbenzene
InChI:
InChI=1S/C9H11Br/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
InChI Key:
LECYCYNAEJDSIL-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1Br)C
EC Number:
230-370-0
Properties
Complexity:
98.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.091g/mol
Monoisotopic Mass:
198.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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