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Home > Bromides > 1314654-60-8
1314654-60-8 | Cyclopropanecarboxylic acid, 1-(4-bromo-3-methylphenyl)-
CAS No: 1314654-60-8 Catalog No: AG000W8D MDL No:MFCD19693711
Product Description
Catalog Number:
AG000W8D
Chemical Name:
Cyclopropanecarboxylic acid, 1-(4-bromo-3-methylphenyl)-
CAS Number:
1314654-60-8
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
MDL Number:
MFCD19693711
IUPAC Name:
1-(4-bromo-3-methylphenyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H11BrO2/c1-7-6-8(2-3-9(7)12)11(4-5-11)10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChI Key:
QOGZYPQBUSUONK-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1)c1ccc(c(c1)C)Br
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.111g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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