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6936-72-7 | IMINO-[2-(2-IODOPHENYL)-1-METHOXYCARBONYL-2-OXO-ETHYLIDENE]AZANIUM
CAS No: 6936-72-7 Catalog No: AG006FH2 MDL No:
Product Description
Catalog Number:
AG006FH2
Chemical Name:
IMINO-[2-(2-IODOPHENYL)-1-METHOXYCARBONYL-2-OXO-ETHYLIDENE]AZANIUM
CAS Number:
6936-72-7
Molecular Formula:
C10H8IN2O3+
Molecular Weight:
331.0866
IUPAC Name:
imino-[1-(2-iodophenyl)-3-methoxy-1,3-dioxopropan-2-ylidene]azanium
InChI:
InChI=1S/C10H8IN2O3/c1-16-10(15)8(13-12)9(14)6-4-2-3-5-7(6)11/h2-5,12H,1H3/q+1
InChI Key:
LYAXPGTZFPMZRJ-UHFFFAOYSA-N
SMILES:
N=[N+]=C(C(=O)c1ccccc1I)C(=O)OC
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.958g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.089g/mol
Monoisotopic Mass:
330.958g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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