Home Other Building Blocks 1-ethyl-4-(isocyanatomethyl)benzene

1-ethyl-4-(isocyanatomethyl)benzene

CAS No.:
518976-74-4
Catalog Number:
AG01BC0B
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
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Product Description
Catalog Number:
AG01BC0B
Chemical Name:
1-ethyl-4-(isocyanatomethyl)benzene
CAS Number:
518976-74-4
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD11593154
IUPAC Name:
1-ethyl-4-(isocyanatomethyl)benzene
InChI:
InChI=1S/C10H11NO/c1-2-9-3-5-10(6-4-9)7-11-8-12/h3-6H,2,7H2,1H3
InChI Key:
HVJNCBQCVDQHAS-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)CN=C=O
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties