Home Other Building Blocks (S)-()-α-Methylbenzyl isocyanide

(S)-()-α-Methylbenzyl isocyanide

CAS No.:
21872-32-2
Catalog Number:
AG003CFC
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$385
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Product Description
Catalog Number:
AG003CFC
Chemical Name:
(S)-()-α-Methylbenzyl isocyanide
CAS Number:
21872-32-2
MDL Number:
MFCD02683482
IUPAC Name:
[(1S)-1-isocyanoethyl]benzene
InChI:
InChI=1S/C9H9N/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1H3/t8-/m0/s1
InChI Key:
KCCAPMXVCPVFEH-QMMMGPOBSA-N
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Determining the structure of α-phenylethyl isocyanide in chloroform by VCD spectroscopy and DFT calculations--simple case or challenge? Physical chemistry chemical physics : PCCP 20101007
Properties