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23230-37-7 | [1,1'-Biphenyl]-4-propanoic acid, α,β-dibromo-, methyl ester
CAS No: 23230-37-7 Catalog No: AG002MLE MDL No:
Product Description
Catalog Number:
AG002MLE
Chemical Name:
[1,1'-Biphenyl]-4-propanoic acid, α,β-dibromo-, methyl ester
CAS Number:
23230-37-7
Molecular Formula:
C16H14Br2O2
Molecular Weight:
398.0892
IUPAC Name:
methyl 2,3-dibromo-3-(4-phenylphenyl)propanoate
InChI:
InChI=1S/C16H14Br2O2/c1-20-16(19)15(18)14(17)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10,14-15H,1H3
InChI Key:
BFVUBBSFCUIRSC-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(c1ccc(cc1)c1ccccc1)Br)Br
NSC Number:
314070
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.934g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.094g/mol
Monoisotopic Mass:
395.936g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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