5-bromo-2-methylbenzohydrazide

CAT: 0926-UXB76956-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-UXB76956-01Size:100 mg

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CAS Number

1194769-56-6

MDL Number

MFCD21192995

Smiles

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

Molecular Formula

C8H9BrN2O

Molecular Weight

229.08 g/mol

Controlled

Chemical Information

5-Bromo-2-methylbenzohydrazide

CAS Number	1194769-56-6
PubChem CID	58118984
IUPAC Name	5-bromo-2-methylbenzohydrazide
Molecular Formula	C8H9BrN2O
Molecular Weight	229.07
XLogP	0.9
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)Br)C(=O)NN

InChI

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

InChIKey

CYNQOZLWZZBUCY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1194769-56-6

CID: 58118984

Formula: C8H9BrN2O

MW: 229.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.07
XLogP3	0.9
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
QVA14379-01	3-Bromo-4-methylbenzohydrazide
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PBA63523-01	3-Hydroxy-4-methylbenzohydrazide
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ZWC79228	2-Bromo-5-fluoroisonicotinamide
FB71172-01	5-Bromo-2-methoxytoluene
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FB64628-01	2-Bromo-5-nitrophenetole

Catalog	Name
sc-312556	3-Bromo-4-methylbenzohydrazide
OR1010469-01	2-Hydroxy-3-Methylbenzohydrazide
sc-335241	2-methoxy-3-methylbenzohydrazide
sc-342773	2-hydroxy-4-methylbenzohydrazide
HY-W038767-01	4-Methylbenzohydrazide
OR322621	N-Methylbenzohydrazide
OR311237	N'- (5-Chloropentanoyl) -4-methylbenzohydrazide
sc-355878	N'- (2-chloropropanoyl) -3-methylbenzohydrazide
sc-260035	2-Methylbenzohydrazide, o-Toluic hydrazide
OR27330	N'- (2-chloroacetyl) -4-methylbenzohydrazide