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2-[(1H-1,3-benzodiazol-2-ylamino)methyl]phenol

2-[(1H-1,3-benzodiazol-2-ylamino)methyl]phenol

Formula: C14H13N3O

SMILES: OC1=CC=CC=C1CNC1=NC2=CC=CC=C2N1

IUPAC: 2-{[(1H-1,3-benzodiazol-2-yl)amino]methyl}phenol

InChI: InChI=1S/C14H13N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-8,18H,9H2,(H2,15,16,17)

Composition: C (70.28%), H (5.48%), N (17.56%), O (6.69%)

Molar Mass: 239.278

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 239.105862051
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey OCDMDLRMBVJKCG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.23
Topological Polar Surface Area 60.94
Polarizability 27.84
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H13N3O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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