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22621-44-9 | Salicylic acid, 5-iodo-3-nitro-, methyl ester
CAS No: 22621-44-9 Catalog No: AG00CBYC MDL No:
Product Description
Catalog Number:
AG00CBYC
Chemical Name:
Salicylic acid, 5-iodo-3-nitro-, methyl ester
CAS Number:
22621-44-9
IUPAC Name:
methyl 2-hydroxy-5-iodo-3-nitrobenzoate
InChI:
InChI=1S/C8H6INO5/c1-15-8(12)5-2-4(9)3-6(7(5)11)10(13)14/h2-3,11H,1H3
InChI Key:
ASJSCAAJPCMENM-UHFFFAOYSA-N
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.929g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.042g/mol
Monoisotopic Mass:
322.929g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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