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99070-19-6 | methyl 3-bromo-2-phenylpropanoate
CAS No: 99070-19-6 Catalog No: AG003983 MDL No:MFCD17215983
Product Description
Catalog Number:
AG003983
Chemical Name:
methyl 3-bromo-2-phenylpropanoate
CAS Number:
99070-19-6
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD17215983
IUPAC Name:
methyl 3-bromo-2-phenylpropanoate
InChI:
InChI=1S/C10H11BrO2/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChI Key:
LJKQRNDCJLRTCJ-UHFFFAOYSA-N
SMILES:
BrCC(c1ccccc1)C(=O)OC
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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