Home Other Building Blocks 1-tert-Butyl-3-isocyanatobenzene

1-tert-Butyl-3-isocyanatobenzene

CAS No.:
55304-16-0
Catalog Number:
AG01EHY2
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$239
- +
5g
98%
1 week
United States
$767
- +
25g
98%
1 week
United States
$2746
- +
Product Description
Catalog Number:
AG01EHY2
Chemical Name:
1-tert-Butyl-3-isocyanatobenzene
CAS Number:
55304-16-0
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD24450614
IUPAC Name:
1-tert-butyl-3-isocyanatobenzene
InChI:
InChI=1S/C11H13NO/c1-11(2,3)9-5-4-6-10(7-9)12-8-13/h4-7H,1-3H3
InChI Key:
XCRZAUANPRGEST-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)C(C)(C)C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties