Home Other Building Blocks Methyl 4-isocyanatobenzoate

Methyl 4-isocyanatobenzoate

CAS No.:
23138-53-6
Catalog Number:
AG002MB7
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
10g
98%
In Stock USA
United States
$263
- +
25g
98%
In Stock USA
United States
$525
- +
100g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG002MB7
Chemical Name:
Methyl 4-isocyanatobenzoate
CAS Number:
23138-53-6
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD01863690
IUPAC Name:
methyl 4-isocyanatobenzoate
InChI:
InChI=1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3
InChI Key:
FQDDBYGPHUUTRN-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)C(=O)OC
NSC Number:
132096
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties