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923976-60-7 | Benzoic acid, 4-(3,3-diethyl-1-triazen-1-yl)-3-iodo-
CAS No: 923976-60-7 Catalog No: AG006IQ7 MDL No:
Product Description
Catalog Number:
AG006IQ7
Chemical Name:
Benzoic acid, 4-(3,3-diethyl-1-triazen-1-yl)-3-iodo-
CAS Number:
923976-60-7
Molecular Formula:
C11H14IN3O2
Molecular Weight:
347.1522
IUPAC Name:
4-(diethylaminodiazenyl)-3-iodobenzoic acid
InChI:
InChI=1S/C11H14IN3O2/c1-3-15(4-2)14-13-10-6-5-8(11(16)17)7-9(10)12/h5-7H,3-4H2,1-2H3,(H,16,17)
InChI Key:
NYLCHQSSZSRGDZ-UHFFFAOYSA-N
SMILES:
CCN(N=Nc1ccc(cc1I)C(=O)O)CC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.013g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.156g/mol
Monoisotopic Mass:
347.013g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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