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2-{[(4-methoxyphenyl)methyl]amino}acetonitrile hydrobromide

2-{[(4-methoxyphenyl)methyl]amino}acetonitrile hydrobromide

CAS: 1630096-74-0

Formula: C10H13BrN2O

SMILES: Br.COC1=CC=C(CNCC#N)C=C1

IUPAC: 2-{[(4-methoxyphenyl)methyl]amino}acetonitrile hydrobromide

InChI: InChI=1S/C10H12N2O.BrH/c1-13-10-4-2-9(3-5-10)8-12-7-6-11;/h2-5,12H,7-8H2,1H3;1H

Composition: C (46.71%), H (5.10%), Br (31.08%), N (10.89%), O (6.22%)

Molar Mass: 257.131

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 256.021126
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DYJYKJLWFWFRDA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.83
Topological Polar Surface Area 45.05
Polarizability 19.73
Ring Count 1
Rotatable Bond Count 4

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97% <2 Days 1630096-74-0 $51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43
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