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1003707-08-1 | Benzenepropanoic acid, 2,4-dichloro-β-cyano-
CAS No: 1003707-08-1 Catalog No: AG0001RF MDL No:
Product Description
Catalog Number:
AG0001RF
Chemical Name:
Benzenepropanoic acid, 2,4-dichloro-β-cyano-
CAS Number:
1003707-08-1
Molecular Formula:
C10H7Cl2NO2
Molecular Weight:
244.0741
IUPAC Name:
3-cyano-3-(2,4-dichlorophenyl)propanoic acid
InChI:
InChI=1S/C10H7Cl2NO2/c11-7-1-2-8(9(12)4-7)6(5-13)3-10(14)15/h1-2,4,6H,3H2,(H,14,15)
InChI Key:
YPWDURPSIHDKSW-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1Cl)Cl)CC(=O)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.071g/mol
Monoisotopic Mass:
242.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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