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190067-59-5 | Benzoic acid, 4-(acetyloxy)-3-iodo-
CAS No: 190067-59-5 Catalog No: AG002EAP MDL No:MFCD06797941
Product Description
Catalog Number:
AG002EAP
Chemical Name:
Benzoic acid, 4-(acetyloxy)-3-iodo-
CAS Number:
190067-59-5
Molecular Formula:
C9H7IO4
Molecular Weight:
306.0539
MDL Number:
MFCD06797941
IUPAC Name:
4-acetyloxy-3-iodobenzoic acid
InChI:
InChI=1S/C9H7IO4/c1-5(11)14-8-3-2-6(9(12)13)4-7(8)10/h2-4H,1H3,(H,12,13)
InChI Key:
DYVAJZPUBLUNSZ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1I)C(=O)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.939g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.055g/mol
Monoisotopic Mass:
305.939g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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