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219841-92-6 | 5-CYANO-2-IODOBENZOIC ACID
CAS No: 219841-92-6 Catalog No: AG00BIL2 MDL No:MFCD14706750
Product Description
Catalog Number:
AG00BIL2
Chemical Name:
5-CYANO-2-IODOBENZOIC ACID
CAS Number:
219841-92-6
Molecular Formula:
C8H4INO2
Molecular Weight:
273.0273
MDL Number:
MFCD14706750
IUPAC Name:
5-cyano-2-iodobenzoic acid
InChI:
InChI=1S/C8H4INO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3H,(H,11,12)
InChI Key:
KKYRFNJFSDWXMG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(=O)O)I
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:
1.8
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