Home Other Building Blocks 3-METHOXYCARBONYLPHENYL ISOTHIOCYANATE

3-METHOXYCARBONYLPHENYL ISOTHIOCYANATE

CAS No.:
3125-66-4
Catalog Number:
AG003JNJ
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003JNJ
Chemical Name:
3-METHOXYCARBONYLPHENYL ISOTHIOCYANATE
CAS Number:
3125-66-4
MDL Number:
MFCD00041080
IUPAC Name:
methyl 3-isothiocyanatobenzoate
InChI:
InChI=1S/C9H7NO2S/c1-12-9(11)7-3-2-4-8(5-7)10-6-13/h2-5H,1H3
InChI Key:
NQXFZEJJHPUMMF-UHFFFAOYSA-N
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties