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115815-30-0 | Benzamide, 5-bromo-2-hydroxy-N-(4-nitrophenyl)-3-(phenylmethyl)-, compd. with piperazine (1:1) (9CI)
CAS No: 115815-30-0 Catalog No: AG000GVU MDL No:
Product Description
Catalog Number:
AG000GVU
Chemical Name:
Benzamide, 5-bromo-2-hydroxy-N-(4-nitrophenyl)-3-(phenylmethyl)-, compd. with piperazine (1:1) (9CI)
CAS Number:
115815-30-0
Molecular Formula:
C24H25BrN4O4
Molecular Weight:
513.3837
IUPAC Name:
3-benzyl-5-bromo-2-hydroxy-N-(4-nitrophenyl)benzamide;piperazine
InChI:
InChI=1S/C20H15BrN2O4.C4H10N2/c21-15-11-14(10-13-4-2-1-3-5-13)19(24)18(12-15)20(25)22-16-6-8-17(9-7-16)23(26)27;1-2-6-4-3-5-1/h1-9,11-12,24H,10H2,(H,22,25);5-6H,1-4H2
InChI Key:
JRLFASDFMLAABK-UHFFFAOYSA-N
SMILES:
C1CNCCN1.Brc1cc(Cc2ccccc2)c(c(c1)C(=O)Nc1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.106g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
513.392g/mol
Monoisotopic Mass:
512.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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