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101869-82-3 | 2-Propenoic acid, 3-(2,5-dichlorophenyl)-
CAS No: 101869-82-3 Catalog No: AG0005T4 MDL No:MFCD03002786
Product Description
Catalog Number:
AG0005T4
Chemical Name:
2-Propenoic acid, 3-(2,5-dichlorophenyl)-
CAS Number:
101869-82-3
Molecular Formula:
C9H6Cl2O2
Molecular Weight:
217.0487
MDL Number:
MFCD03002786
IUPAC Name:
(E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6Cl2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChI Key:
LYYBVUOVYNSRSE-DAFODLJHSA-N
SMILES:
OC(=O)C=Cc1cc(Cl)ccc1Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
215.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.045g/mol
Monoisotopic Mass:
215.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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