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90326-54-8 | 1-(5-Bromo-2-methylphenyl)ethanone
CAS No: 90326-54-8 Catalog No: AG0039PA MDL No:MFCD22493313
Product Description
Catalog Number:
AG0039PA
Chemical Name:
1-(5-Bromo-2-methylphenyl)ethanone
CAS Number:
90326-54-8
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD22493313
IUPAC Name:
1-(5-bromo-2-methylphenyl)ethanone
InChI:
InChI=1S/C9H9BrO/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5H,1-2H3
InChI Key:
ZNMVYUFRYQVCRD-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(=O)C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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