Cas no 1261499-51-7 (2-Chloro-6-isocyanatobenzonitrile)

2-Chloro-6-isocyanatobenzonitrile structure
1261499-51-7 structure
Product Name:2-Chloro-6-isocyanatobenzonitrile
CAS No:1261499-51-7
MF:C8H3ClN2O
MW:178.575220346451
CID:6349049
PubChem ID:129916308
Update Time:2024-01-13

2-Chloro-6-isocyanatobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • EN300-7829565
    • 1261499-51-7
    • 2-chloro-6-isocyanatobenzonitrile
    • 2-Chloro-6-isocyanatobenzonitrile
    • Inchi: 1S/C8H3ClN2O/c9-7-2-1-3-8(11-5-12)6(7)4-10/h1-3H
    • InChI Key: AQKCPNMALUBSRW-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1C#N)N=C=O

Computed Properties

  • Exact Mass: 177.9933904g/mol
  • Monoisotopic Mass: 177.9933904g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 251
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 53.2?2

2-Chloro-6-isocyanatobenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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1261499-51-7 95.0%
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Enamine
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Enamine
EN300-7829565-1.0g
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Enamine
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Enamine
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Enamine
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1261499-51-7 95.0%
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Aaron
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Aaron
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