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3-(benzotriazol-1-yl)propanenitrile

3-(benzotriazol-1-yl)propanenitrile structure

CAS No:
6946-09-4
Formula:
C9H8N4
Chemical Name:
3-(benzotriazol-1-yl)propanenitrile
Synonyms:
3-(1H-1,2,3-benzotriazol-1-yl)propanenitrile;6946-09-4;3-(1H-benzotriazol-1-yl)propanenitrile;3-(1h-benzo[d][1,2,3]triazol-1-yl)propanenitrile;1H-Benzotriazole-1-propanenitrile;NSC53149;ChemDiv3_000293;3-benzotriazolylpropanenitrile;MLS000084689;CHEMBL1387942;DTXSID20287891;HMS1473N07;HMS2368N05;ALBB-014275;ZINC1684353;MFCD00466601;NSC-53149;STK367292;AKOS005174349;MCULE-7437650519;IDI1_019611;NCGC00043244-02;LS-04496;SMR000019036;1H-1,2,3-benzotriazole-1-propanenitrile;EU-0066964;R3248;ST50879264;EN300-36746;SR-01000390913;SR-01000390913-1

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3-(benzotriazol-1-yl)propanenitrile Basic Attributes

Molecular Weight：

172.19 g/mol

Exact Mass：

172.074896272 g/mol

NSC Number：

53149

DSSTox ID：

DTXSID20287891

Characteristics

PSA：

54.5 Å²

Computed Properties

Molecular Weight:172.19
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:172.074896272
Monoisotopic Mass:172.074896272
Topological Polar Surface Area:54.5
Heavy Atom Count:13
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(benzotriazol-1-yl)propanenitrile

Basic Attributes
Characteristics
Computed Properties

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