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65874-26-2 | 5-Iodo-2-methylbenzaldehyde
CAS No: 65874-26-2 Catalog No: AG006MP7 MDL No:MFCD18397777
Product Description
Catalog Number:
AG006MP7
Chemical Name:
5-Iodo-2-methylbenzaldehyde
CAS Number:
65874-26-2
Molecular Formula:
C8H7IO
Molecular Weight:
246.0450
MDL Number:
MFCD18397777
IUPAC Name:
5-iodo-2-methylbenzaldehyde
InChI:
InChI=1S/C8H7IO/c1-6-2-3-8(9)4-7(6)5-10/h2-5H,1H3
InChI Key:
KGSUBBGMCCOXKF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(I)ccc1C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.047g/mol
Monoisotopic Mass:
245.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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