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66195-39-9 | 2-Iodo-6-methoxybenzoic acid
CAS No: 66195-39-9 Catalog No: AG00FD9O MDL No:MFCD13562947
Product Description
Catalog Number:
AG00FD9O
Chemical Name:
2-Iodo-6-methoxybenzoic acid
CAS Number:
66195-39-9
Molecular Formula:
C8H7IO3
Molecular Weight:
278.0439
MDL Number:
MFCD13562947
IUPAC Name:
2-iodo-6-methoxybenzoic acid
InChI:
InChI=1S/C8H7IO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
RFRQKFYMMXFZNQ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)O)I
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.944g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.045g/mol
Monoisotopic Mass:
277.944g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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