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1131588-02-7 | 4-Cyclopropyl-3-iodobenzoic acid
CAS No: 1131588-02-7 Catalog No: AG00HCIX MDL No:MFCD11110760
Product Description
Catalog Number:
AG00HCIX
Chemical Name:
4-Cyclopropyl-3-iodobenzoic acid
CAS Number:
1131588-02-7
Molecular Formula:
C10H9IO2
Molecular Weight:
288.0817
MDL Number:
MFCD11110760
IUPAC Name:
4-cyclopropyl-3-iodobenzoic acid
InChI:
InChI=1S/C10H9IO2/c11-9-5-7(10(12)13)3-4-8(9)6-1-2-6/h3-6H,1-2H2,(H,12,13)
InChI Key:
QDVBTTDZXICGEK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)I)C1CC1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.084g/mol
Monoisotopic Mass:
287.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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