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2-methylpyrimidine-5-carbonitrile

2-methylpyrimidine-5-carbonitrile

CAS: 5506-97-8

Formula: C6H5N3

SMILES: CC1=NC=C(C=N1)C#N

IUPAC: 2-methylpyrimidine-5-carbonitrile

InChI: InChI=1S/C6H5N3/c1-5-8-3-6(2-7)4-9-5/h3-4H,1H3

Composition: C (60.50%), H (4.23%), N (35.27%)

Molar Mass: 119.127

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 119.048347173
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey JQXXDALJZOCGKU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.07
Topological Polar Surface Area 49.57
Polarizability 12.14
Ring Count 1
Rotatable Bond Count 0

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96% <2 Days 5506-97-8 $401.35-$2,748.50$401.35$687.70$2,748.50
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