3-Bromo-4-methylbenzohydrazide

CAT: 0926-QVA14379-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-QVA14379-01Size:0.5 g

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CAS Number

515143-79-0

MDL Number

MFCD05666730

Smiles

CC1=C (C=C (C=C1) C (=O) NN) Br

Molecular Formula

C8H9BrN2O

Molecular Weight

229.08 g/mol

Controlled

Chemical Information

3-Bromo-4-methylbenzohydrazide

CAS Number	515143-79-0
PubChem CID	1382876
IUPAC Name	3-bromo-4-methylbenzohydrazide
Molecular Formula	C8H9BrN2O
Molecular Weight	229.07
XLogP	1.5
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	174

SMILES

CC1=C(C=C(C=C1)C(=O)NN)Br

InChI

InChI=1S/C8H9BrN2O/c1-5-2-3-6(4-7(5)9)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)

InChIKey

SVZACRLLIPEQOC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 515143-79-0

CID: 1382876

Formula: C8H9BrN2O

MW: 229.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.07
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	227.98983
Monoisotopic Mass	227.98983
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
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

Catalog	Name
PBA63523-01	3-Hydroxy-4-methylbenzohydrazide
UXB76956-01	5-bromo-2-methylbenzohydrazide
DXC58075-01	3-Fluoro-4-methylbenzohydrazide hydrochloride
YFA67243	4-Bromo-3-methylbenzhydrazide
UCA44364	2-Hydroxy-4-methylbenzohydrazide
ZHA93821-01	N'- (2-Chloroacetyl) -4-methylbenzohydrazide
CZB41826-01	4-bromo-3,3-dimethylindoline
EFA41593-01	4-Bromo-3,3-dimethylbutanenitrile
ZXC45538-01	3-Bromo-4-fluoroquinoline
SDB84345-01	3-Bromo-4-methylpicolinonitrile

Catalog	Name
sc-312556	3-Bromo-4-methylbenzohydrazide
HY-W038767-01	4-Methylbenzohydrazide
sc-313035	3-Fluoro-4-methylbenzohydrazide
sc-308779	2,4-Dihydroxy-3-methylbenzohydrazide
sc-355900A	N'- (chloroacetyl) -4-methylbenzohydrazide
sc-342773	2-hydroxy-4-methylbenzohydrazide
OR1010469-01	2-Hydroxy-3-Methylbenzohydrazide
sc-335241	2-methoxy-3-methylbenzohydrazide
OR322621	N-Methylbenzohydrazide
OR311237	N'- (5-Chloropentanoyl) -4-methylbenzohydrazide