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99405-04-6 | 3-IODOBENZALDEHYDE DIMETHYL ACETAL
CAS No: 99405-04-6 Catalog No: AG0065HL MDL No:
Product Description
Catalog Number:
AG0065HL
Chemical Name:
3-IODOBENZALDEHYDE DIMETHYL ACETAL
CAS Number:
99405-04-6
Molecular Formula:
C9H11IO2
Molecular Weight:
278.0869
IUPAC Name:
1-(dimethoxymethyl)-3-iodobenzene
InChI:
InChI=1S/C9H11IO2/c1-11-9(12-2)7-4-3-5-8(10)6-7/h3-6,9H,1-2H3
InChI Key:
JYFNSJPMDOMOHV-UHFFFAOYSA-N
SMILES:
COC(c1cccc(c1)I)OC
EC Number:
619-432-1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.98g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.089g/mol
Monoisotopic Mass:
277.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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