Home Other Building Blocks 1-(2-isocyanatoethyl)-4-methylbenzene

1-(2-isocyanatoethyl)-4-methylbenzene

CAS No.:
103809-68-3
Catalog Number:
AG01B2OA
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
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Product Description
Catalog Number:
AG01B2OA
Chemical Name:
1-(2-isocyanatoethyl)-4-methylbenzene
CAS Number:
103809-68-3
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD11592301
IUPAC Name:
1-(2-isocyanatoethyl)-4-methylbenzene
InChI:
InChI=1S/C10H11NO/c1-9-2-4-10(5-3-9)6-7-11-8-12/h2-5H,6-7H2,1H3
InChI Key:
INACVOYMUBCLQY-UHFFFAOYSA-N
SMILES:
O=C=NCCc1ccc(cc1)C
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:
3.3  
Properties