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51012-62-5 | 2-Bromo-4'-isopropylacetophenone
CAS No: 51012-62-5 Catalog No: AG006UQN MDL No:MFCD09751221
Product Description
Catalog Number:
AG006UQN
Chemical Name:
2-Bromo-4'-isopropylacetophenone
CAS Number:
51012-62-5
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
MDL Number:
MFCD09751221
IUPAC Name:
2-bromo-1-(4-propan-2-ylphenyl)ethanone
InChI:
InChI=1S/C11H13BrO/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h3-6,8H,7H2,1-2H3
InChI Key:
ZSCDQVYYLJSTFU-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)C(C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.128g/mol
Monoisotopic Mass:
240.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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