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875647-23-7 | Benzoic acid, 2-iodo-, 4-nitrophenyl ester
CAS No: 875647-23-7 Catalog No: AG004RL7 MDL No:
Product Description
Catalog Number:
AG004RL7
Chemical Name:
Benzoic acid, 2-iodo-, 4-nitrophenyl ester
CAS Number:
875647-23-7
Molecular Formula:
C13H8INO4
Molecular Weight:
369.1114
IUPAC Name:
(4-nitrophenyl) 2-iodobenzoate
InChI:
InChI=1S/C13H8INO4/c14-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)15(17)18/h1-8H
InChI Key:
XPOCHGQINUEXCY-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1I)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.95g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.114g/mol
Monoisotopic Mass:
368.95g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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