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185050-32-2 | 2-cyano-5-iodobenzoic acid
CAS No: 185050-32-2 Catalog No: AG00ANET MDL No:MFCD12405639
Product Description
Catalog Number:
AG00ANET
Chemical Name:
2-cyano-5-iodobenzoic acid
CAS Number:
185050-32-2
MDL Number:
MFCD12405639
IUPAC Name:
2-cyano-5-iodobenzoic acid
InChI:
InChI=1S/C8H4INO2/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3H,(H,11,12)
InChI Key:
GURKJLQOEBNLCE-UHFFFAOYSA-N
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.929g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.029g/mol
Monoisotopic Mass:
272.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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