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Home > Aldehydes > 101421-31-2
101421-31-2 | Benzaldehyde, 2-iodo-4-nitro-
CAS No: 101421-31-2 Catalog No: AG0004GU MDL No:
Product Description
Catalog Number:
AG0004GU
Chemical Name:
Benzaldehyde, 2-iodo-4-nitro-
CAS Number:
101421-31-2
Molecular Formula:
C7H4INO3
Molecular Weight:
277.0160
IUPAC Name:
2-iodo-4-nitrobenzaldehyde
InChI:
InChI=1S/C7H4INO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H
InChI Key:
ZPAJYMLKGLFKHT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1I)[N+](=O)[O-]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.017g/mol
Monoisotopic Mass:
276.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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