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89434-02-6 | 1H-Indole-3-aceticacid, 4-iodo-
CAS No: 89434-02-6 Catalog No: AG0043JU MDL No:
Product Description
Catalog Number:
AG0043JU
Chemical Name:
1H-Indole-3-aceticacid, 4-iodo-
CAS Number:
89434-02-6
Molecular Formula:
C10H8INO2
Molecular Weight:
301.0805
IUPAC Name:
2-(4-iodo-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C10H8INO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
InChI Key:
ZQFPMQFVJBELCS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]c2c1c(I)ccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.083g/mol
Monoisotopic Mass:
300.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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