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24630-00-0 | Benzoic acid, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-, methyl ester
CAS No: 24630-00-0 Catalog No: AG002OUW MDL No:
Product Description
Catalog Number:
AG002OUW
Chemical Name:
Benzoic acid, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-, methyl ester
CAS Number:
24630-00-0
Molecular Formula:
C16H17N3O2
Molecular Weight:
283.3251
IUPAC Name:
methyl 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
InChI:
InChI=1S/C16H17N3O2/c1-19(2)15-10-8-14(9-11-15)18-17-13-6-4-12(5-7-13)16(20)21-3/h4-11H,1-3H3
InChI Key:
JTFDDDDHFROPQU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.331g/mol
Monoisotopic Mass:
283.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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