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82998-76-3 | 3-IODO-4-ETHOXYBENZOIC ACID
CAS No: 82998-76-3 Catalog No: AG00GF7Z MDL No:
Product Description
Catalog Number:
AG00GF7Z
Chemical Name:
3-IODO-4-ETHOXYBENZOIC ACID
CAS Number:
82998-76-3
IUPAC Name:
4-ethoxy-3-iodobenzoic acid
InChI:
InChI=1S/C9H9IO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
BRYFLXAZXGXWLS-UHFFFAOYSA-N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.072g/mol
Monoisotopic Mass:
291.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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