Home Other Building Blocks 1-(isocyanatomethyl)-2,4-dimethylbenzene

1-(isocyanatomethyl)-2,4-dimethylbenzene

CAS No.:
56651-59-3
Catalog Number:
AG01ALB1
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
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Product Description
Catalog Number:
AG01ALB1
Chemical Name:
1-(isocyanatomethyl)-2,4-dimethylbenzene
CAS Number:
56651-59-3
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD21880248
IUPAC Name:
1-(isocyanatomethyl)-2,4-dimethylbenzene
InChI:
InChI=1S/C10H11NO/c1-8-3-4-10(6-11-7-12)9(2)5-8/h3-5H,6H2,1-2H3
InChI Key:
ATLVTMVEYQOHCH-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccc(cc1C)C
Properties
Complexity:
184  
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:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties