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5,6-dimethyl-1H-1,2,3-benzotriazole hydrate

5,6-dimethyl-1H-1,2,3-benzotriazole hydrate

CAS: 4184-79-6

Formula: C8H11N3O

SMILES: O.CC1=C(C)C=C2N=NNC2=C1

IUPAC: 5,6-dimethyl-1H-1,2,3-benzotriazole hydrate

InChI: InChI=1S/C8H9N3.H2O/c1-5-3-7-8(4-6(5)2)10-11-9-7;/h3-4H,1-2H3,(H,9,10,11);1H2

Composition: C (58.17%), H (6.71%), N (25.44%), O (9.68%)

Molar Mass: 165.196

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 165.090211986
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VVWPOQUENPOMAK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.14
Topological Polar Surface Area 41.57
Polarizability 17.31
Ring Count 2
Rotatable Bond Count 0

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95% <5 Days 4184-79-6 $3,510.00-$4,180.00$3,510.00$4,180.00
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