N'- (4-Bromophenyl) acetohydrazide

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CAS Number

14579-97-6

Synonyms

N-Acetyl-N'- (4-bromophenyl) hydrazine, Acetic acid N'- (4-bromophenyl) hydrazide

MDL Number

MFCD00457189

Purity

=95%

Smiles

CC(=O)NNc1ccc(Br)cc1

Chemical Information

Acetic acid 2-(4-bromophenyl)hydrazide

CAS Number	14579-97-6
PubChem CID	615522
IUPAC Name	N'-(4-bromophenyl)acetohydrazide
Molecular Formula	C8H9BrN2O
Molecular Weight	229.07
XLogP	2.1
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	155

SMILES

CC(=O)NNC1=CC=C(C=C1)Br

InChI

InChI=1S/C8H9BrN2O/c1-6(12)10-11-8-4-2-7(9)3-5-8/h2-5,11H,1H3,(H,10,12)

InChIKey

TXIZEHFTRRBEMY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14579-97-6

CID: 615522

Formula: C8H9BrN2O

MW: 229.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.07
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	227.98983
Monoisotopic Mass	227.98983
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
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