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149990-77-2 | Benzoic acid, 2-[4-(4-bromophenyl)-2-hydroxy-1,4-dioxo-2-butenyl]hydrazide, (Z)- (9CI)
CAS No: 149990-77-2 Catalog No: AG001M76 MDL No:
Product Description
Catalog Number:
AG001M76
Chemical Name:
Benzoic acid, 2-[4-(4-bromophenyl)-2-hydroxy-1,4-dioxo-2-butenyl]hydrazide, (Z)- (9CI)
CAS Number:
149990-77-2
Molecular Formula:
C17H13BrN2O4
Molecular Weight:
389.2001
IUPAC Name:
N-[4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoyl]benzohydrazide
InChI:
InChI=1S/C17H13BrN2O4/c18-13-8-6-11(7-9-13)14(21)10-15(22)17(24)20(19)16(23)12-4-2-1-3-5-12/h1-10,21H,19H2
InChI Key:
NJGUKFPVIYXPGT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)/C(=C/C(=O)C(=O)N(C(=O)c1ccccc1)N)/O
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.006g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
389.205g/mol
Monoisotopic Mass:
388.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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