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2-[(3-methoxypropyl)amino]-5-nitrobenzonitrile

2-[(3-methoxypropyl)amino]-5-nitrobenzonitrile

CAS: 923170-40-5

Formula: C11H13N3O3

SMILES: COCCCNC1=C(C=C(C=C1)[N+]([O-])=O)C#N

IUPAC: 2-[(3-methoxypropyl)amino]-5-nitrobenzonitrile

InChI: InChI=1S/C11H13N3O3/c1-17-6-2-5-13-11-4-3-10(14(15)16)7-9(11)8-12/h3-4,7,13H,2,5-6H2,1H3

Composition: C (56.16%), H (5.57%), N (17.86%), O (20.40%)

Molar Mass: 235.243

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.095691291
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey KNLJAMLDWPTMMC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.2
Topological Polar Surface Area 88.19
Polarizability 23.27
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 923170-40-5 $134.76$134.76
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