Home Halogens 3-chloro-4-iodobenzoic acid

3-chloro-4-iodobenzoic acid

CAS No.:
58123-72-1
Catalog Number:
AG00F1DR
Molecular Formula:
C7H4ClIO2
Molecular Weight:
282.4629
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Product Description
Catalog Number:
AG00F1DR
Chemical Name:
3-chloro-4-iodobenzoic acid
CAS Number:
58123-72-1
Molecular Formula:
C7H4ClIO2
Molecular Weight:
282.4629
MDL Number:
MFCD06637386
IUPAC Name:
3-chloro-4-iodobenzoic acid
InChI:
InChI=1S/C7H4ClIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChI Key:
UTKNSLUWERDCPS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Cl)I
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.894g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.461g/mol
Monoisotopic Mass:
281.894g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties