4-Bromo-3-methylbenzhydrazide

CAT: 0926-YFA67243Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-YFA67243Size:5 g

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CAS Number

148672-43-9

MDL Number

MFCD00672945

Smiles

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

Molecular Formula

C8H9BrN2O

Molecular Weight

229.07 g/mol

Controlled

Chemical Information

4-Bromo-3-methylbenzohydrazide

CAS Number	148672-43-9
PubChem CID	3905887
IUPAC Name	4-bromo-3-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=CC(=C1)C(=O)NN)Br

InChI

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

InChIKey

BFJALHSTCHFUMF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 148672-43-9

CID: 3905887

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
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FB154070-01	4-Bromo-3-methoxypyridine
AAA45262-01	3-Bromo-4-fluorotoluene
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Catalog	Name
sc-280418A	4-Bromo-3-methylbenzhydrazide
OR1021236	2-Bromo-4-methylbenzhydrazide
OR1021459	3-Bromo-2-methylbenzhydrazide
OR1021231	2-Bromo-3-methylbenzhydrazide
sc-280358A	3-Chloro-4-methylbenzhydrazide
OR1021681	4-Chloro-3-methylbenzhydrazide
OR1003031-01	3-Hydroxy-4-methylbenzhydrazide
OR1021713	4-Iodo-3-methylbenzhydrazide
OR303259	6-Bromo-3-methoxy-2-methylbenzhydrazide
OR15301	3-Amino-4-methylbenzhydrazide