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100130-55-0 | Benzaldehyde, 2-iodo-3-methyl-
CAS No: 100130-55-0 Catalog No: AG00011D MDL No:
Product Description
Catalog Number:
AG00011D
Chemical Name:
Benzaldehyde, 2-iodo-3-methyl-
CAS Number:
100130-55-0
Molecular Formula:
C8H7IO
Molecular Weight:
246.0451
IUPAC Name:
2-iodo-3-methylbenzaldehyde
InChI:
InChI=1S/C8H7IO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3
InChI Key:
QPABLNRXTZXEIQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1I)C
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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