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88661-49-8 | Benzoic acid, 2-[[[5-oxo-4-(phenylazo)octyl]amino]carbonyl]-
CAS No: 88661-49-8 Catalog No: AG0048HZ MDL No:
Product Description
Catalog Number:
AG0048HZ
Chemical Name:
Benzoic acid, 2-[[[5-oxo-4-(phenylazo)octyl]amino]carbonyl]-
CAS Number:
88661-49-8
Molecular Formula:
C22H25N3O4
Molecular Weight:
395.4516
IUPAC Name:
2-[(5-oxo-4-phenyldiazenyloctyl)carbamoyl]benzoic acid
InChI:
InChI=1S/C22H25N3O4/c1-2-9-20(26)19(25-24-16-10-4-3-5-11-16)14-8-15-23-21(27)17-12-6-7-13-18(17)22(28)29/h3-7,10-13,19H,2,8-9,14-15H2,1H3,(H,23,27)(H,28,29)
InChI Key:
NEVAJEUWFRLBMM-UHFFFAOYSA-N
SMILES:
CCCC(=O)C(N=Nc1ccccc1)CCCNC(=O)c1ccccc1C(=O)O
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.185g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.459g/mol
Monoisotopic Mass:
395.185g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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