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1261442-12-9 | Benzenepropanoic acid, 2-chloro-3-iodo-
CAS No: 1261442-12-9 Catalog No: AG000RRJ MDL No:
Product Description
Catalog Number:
AG000RRJ
Chemical Name:
Benzenepropanoic acid, 2-chloro-3-iodo-
CAS Number:
1261442-12-9
Molecular Formula:
C9H8ClIO2
Molecular Weight:
310.5161
IUPAC Name:
3-(2-chloro-3-iodophenyl)propanoic acid
InChI:
InChI=1S/C9H8ClIO2/c10-9-6(4-5-8(12)13)2-1-3-7(9)11/h1-3H,4-5H2,(H,12,13)
InChI Key:
PKTINBAIKRFSSY-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc(c1Cl)I
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.926g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.515g/mol
Monoisotopic Mass:
309.926g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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