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1503-54-4 | Benzoic acid, 2-(acetyloxy)-5-iodo-
CAS No: 1503-54-4 Catalog No: AG001MIE MDL No:
Product Description
Catalog Number:
AG001MIE
Chemical Name:
Benzoic acid, 2-(acetyloxy)-5-iodo-
CAS Number:
1503-54-4
Molecular Formula:
C9H7IO4
Molecular Weight:
306.0539
IUPAC Name:
2-acetyloxy-5-iodobenzoic acid
InChI:
InChI=1S/C9H7IO4/c1-5(11)14-8-3-2-6(10)4-7(8)9(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
WZHXVERXLFPQCU-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1C(=O)O)I
EC Number:
216-127-1
NSC Number:
518712
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:
1.8
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