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161911-76-8 | Butanoic acid, 2-[(4-bromophenyl)hydrazono]-3-oxo-, (Z)- (9CI)
CAS No: 161911-76-8 Catalog No: AG001SIW MDL No:
Product Description
Catalog Number:
AG001SIW
Chemical Name:
Butanoic acid, 2-[(4-bromophenyl)hydrazono]-3-oxo-, (Z)- (9CI)
CAS Number:
161911-76-8
Molecular Formula:
C10H9BrN2O3
Molecular Weight:
285.0941
IUPAC Name:
2-[(4-bromophenyl)diazenyl]-3-hydroxybut-2-enoic acid
InChI:
InChI=1S/C10H9BrN2O3/c1-6(14)9(10(15)16)13-12-8-4-2-7(11)3-5-8/h2-5,14H,1H3,(H,15,16)
InChI Key:
KRQWSYHQJLRUQB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N/N=C(\C(=O)O)/C(=O)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.98g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.097g/mol
Monoisotopic Mass:
283.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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