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Home > Encyclopedia > 1-butan-2-yl-2-isocyanatobenzene

1-butan-2-yl-2-isocyanatobenzene

1-butan-2-yl-2-isocyanatobenzene structure

1-butan-2-yl-2-isocyanatobenzene 

structure
  • CAS No:

    480439-17-6

  • Formula:

    C11H13NO

  • Chemical Name:

    1-butan-2-yl-2-isocyanatobenzene

  • Synonyms:

    2-sec-Butylphenyl isocyanate; 1-sec-butyl-2-isocyanatobenzene;

1-butan-2-yl-2-isocyanatobenzene Basic Attributes

175.22700

175.099714038

DTXSID50409009

2929109000

Characteristics

29.43000

3.16740

0.999g/mL

219-220ºC

195ºF

n20/D 1.5200(lit.)

Safety Information

Xn

Computed Properties

Molecular Weight:175.23
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:175.099714038
Monoisotopic Mass:175.099714038
Topological Polar Surface Area:29.4
Heavy Atom Count:13
Complexity:196
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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