Home Halogens 1-chloro-4-(2-isocyanatopropan-2-yl)benzene

1-chloro-4-(2-isocyanatopropan-2-yl)benzene

CAS No.:
64798-38-5
Catalog Number:
AG01DWKM
Molecular Formula:
C10H10ClNO
Molecular Weight:
195.6455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DWKM
Chemical Name:
1-chloro-4-(2-isocyanatopropan-2-yl)benzene
CAS Number:
64798-38-5
Molecular Formula:
C10H10ClNO
Molecular Weight:
195.6455
MDL Number:
MFCD16304221
IUPAC Name:
1-chloro-4-(2-isocyanatopropan-2-yl)benzene
InChI:
InChI=1S/C10H10ClNO/c1-10(2,12-7-13)8-3-5-9(11)6-4-8/h3-6H,1-2H3
InChI Key:
NMBDVZRQVRHVDR-UHFFFAOYSA-N
SMILES:
O=C=NC(c1ccc(cc1)Cl)(C)C
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.646g/mol
Monoisotopic Mass:
195.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties