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(²H?)methyl N-{5-[hydroxy(phenyl)methyl]-1H-1,3-benzodiazol-2-yl}carbamate

(²H?)methyl N-{5-[hydroxy(phenyl)methyl]-1H-1,3-benzodiazol-2-yl}carbamate

CAS: 1173020-86-4

Formula: C16H15N3O3

SMILES: [2H]C([2H])([2H])OC(=O)NC1=NC2=CC(=CC=C2N1)C(O)C1=CC=CC=C1

IUPAC: (²H?)methyl N-{5-[hydroxy(phenyl)methyl]-1H-1,3-benzodiazol-2-yl}carbamate

InChI: InChI=1/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)/i1D3

Composition: C (63.99%), H (4.03%), [2H] (2.01%), N (13.99%), O (15.98%)

Molar Mass: 300.332

Atom Count: 37

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 300.130171593
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey IIQKUGXEGMZCLE-FIBGUPNXNA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.03
Topological Polar Surface Area 87.24
Polarizability 32.26
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 1173020-86-4 $815.35-$1,316.75$815.35$1,316.75
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