hydrogen (3-bromophenyl)hydrazine chloride

• ChemBase ID: 293669
• Molecular Formular: C6H7BrClN2-
• Molecular Mass: 222.49018
• Monoisotopic Mass: 220.94811291
• SMILES: c1c(NN)cccc1Br.[Cl-]
• Canonical SMILES: NNc1cccc(c1)Br.[Cl-]
• InChI: InChI=1S/C6H7BrN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H/p-1
• InChIKey: RPYIPFXHIKXRKS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen (3-bromophenyl)hydrazine chloride
• IUPAC Traditional name: hydrogen (3-bromophenyl)hydrazine chloride
• Synonyms: 3-Bromophenylhydrazine hydrochloride

Database IDs

• CAS Number: 27246-81-7
• MDL Number: MFCD00012933
• PubChem SID: 180679200
• PubChem CID: 73994946

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9405508
• LogD (pH = 7.4): 2.1305895
• Log P: 2.133641
• Molar Refractivity: 43.3875 cm^3
• Polarizability: 15.693478 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%