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302810-80-6 | Benzoic acid, 4-[2-[4-(4-bromobutoxy)phenyl]diazenyl]-
CAS No: 302810-80-6 Catalog No: AG002ZGU MDL No:
Product Description
Catalog Number:
AG002ZGU
Chemical Name:
Benzoic acid, 4-[2-[4-(4-bromobutoxy)phenyl]diazenyl]-
CAS Number:
302810-80-6
Molecular Formula:
C17H17BrN2O3
Molecular Weight:
377.2325
IUPAC Name:
4-[[4-(4-bromobutoxy)phenyl]diazenyl]benzoic acid
InChI:
InChI=1S/C17H17BrN2O3/c18-11-1-2-12-23-16-9-7-15(8-10-16)20-19-14-5-3-13(4-6-14)17(21)22/h3-10H,1-2,11-12H2,(H,21,22)
InChI Key:
ZDQOWEBGPDDUSB-UHFFFAOYSA-N
SMILES:
BrCCCCOc1ccc(cc1)N=Nc1ccc(cc1)C(=O)O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.042g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.238g/mol
Monoisotopic Mass:
376.042g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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