Home Other Building Blocks methyl 4-(isocyanatomethyl)benzoate

methyl 4-(isocyanatomethyl)benzoate

CAS No.:
78915-52-3
Catalog Number:
AG01B2MB
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B2MB
Chemical Name:
methyl 4-(isocyanatomethyl)benzoate
CAS Number:
78915-52-3
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD06740496
IUPAC Name:
methyl 4-(isocyanatomethyl)benzoate
InChI:
InChI=1S/C10H9NO3/c1-14-10(13)9-4-2-8(3-5-9)6-11-7-12/h2-5H,6H2,1H3
InChI Key:
LZZCJAKMNAEAGY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)CN=C=O
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties