(S)-N-(5-Nitro-2-pyridyl)phenylalaninol, ≥97%

Name: (S)-N-(5-Nitro-2-pyridyl)phenylalaninol, ≥97%
SKU: ACM115416530-1
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Catalog NumberACM115416530-1

CAS Number115416-53-0

CategoryOther Materials

IUPAC Name

(2S)-2-[(5-nitropyridin-2-yl)amino]-3-phenylpropan-1-ol

Molecular Weight

273.29g/mol

Molecular Formula

C14H15N3O3

Canonical SMILES

C1=CC=C(C=C1)CC(CO)NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O3/c18-10-12(8-11-4-2-1-3-5-11)16-14-7-6-13(9-15-14)17(19)20/h1-7,9,12,18H,8,10H2,(H,15,16)/t12-/m0/s1

InChI Key

XQQHMEFZBTXUTC-LBPRGKRZSA-N

Complexity

303

Covalently-Bonded Unit Count

Exact Mass

273.111341g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

273.111341g/mol

Rotatable Bond Count

XLogP3

2.3

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