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139729-76-3 | 1,2-Benzenediol, 4-[2-(dimethylamino)ethyl]-5-iodo-
CAS No: 139729-76-3 Catalog No: AG001BMF MDL No:
Product Description
Catalog Number:
AG001BMF
Chemical Name:
1,2-Benzenediol, 4-[2-(dimethylamino)ethyl]-5-iodo-
CAS Number:
139729-76-3
Molecular Formula:
C10H14INO2
Molecular Weight:
307.1281
IUPAC Name:
4-[2-(dimethylamino)ethyl]-5-iodobenzene-1,2-diol
InChI:
InChI=1S/C10H14INO2/c1-12(2)4-3-7-5-9(13)10(14)6-8(7)11/h5-6,13-14H,3-4H2,1-2H3
InChI Key:
UURPFNOTQMQPEL-UHFFFAOYSA-N
SMILES:
CN(CCc1cc(O)c(cc1I)O)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.131g/mol
Monoisotopic Mass:
307.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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