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4-(hydrazinylmethyl)-3-methoxybenzonitrile

4-(hydrazinylmethyl)-3-methoxybenzonitrile

CAS: 1314980-61-4

Formula: C9H11N3O

SMILES: COC1=C(CNN)C=CC(=C1)C#N

IUPAC: 4-(hydrazinylmethyl)-3-methoxybenzonitrile

InChI: InChI=1S/C9H11N3O/c1-13-9-4-7(5-10)2-3-8(9)6-12-11/h2-4,12H,6,11H2,1H3

Composition: C (61.00%), H (6.26%), N (23.71%), O (9.03%)

Molar Mass: 177.207

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 177.090211986
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey IFDWIRKIOOZPMO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.69
Topological Polar Surface Area 71.07
Polarizability 19.36
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1314980-61-4 $1,474.00-$3,894.00$1,474.00$2,596.00$3,894.00
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