Home Other Building Blocks 1-(2-isocyanatoethyl)-4-(propan-2-yl)benzene

1-(2-isocyanatoethyl)-4-(propan-2-yl)benzene

CAS No.:
1082435-41-3
Catalog Number:
AG01B2OB
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
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Product Description
Catalog Number:
AG01B2OB
Chemical Name:
1-(2-isocyanatoethyl)-4-(propan-2-yl)benzene
CAS Number:
1082435-41-3
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD11592302
IUPAC Name:
1-(2-isocyanatoethyl)-4-propan-2-ylbenzene
InChI:
InChI=1S/C12H15NO/c1-10(2)12-5-3-11(4-6-12)7-8-13-9-14/h3-6,10H,7-8H2,1-2H3
InChI Key:
PECMMGXRMUTJQH-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)CCN=C=O)C
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties