4-iodo-3-methoxybenzaldehyde


Chemical Name: 4-iodo-3-methoxybenzaldehyde
CAS Number: 121404-83-9
Product Number: AG00AI9E(AGN-PC-000F92)
Synonyms:
MDL No: MFCD11847312
Molecular Formula: C8H7IO2
Molecular Weight: 262.0444

Identification/Properties


Computed Properties
Molecular Weight:
262.046g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
261.949g/mol
Monoisotopic Mass:
261.949g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
138
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H312-H315-H332
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P310-P304+P340-P305+P351+P338-P312-P321-P330-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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