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190774-57-3 | Benzene, 1-isocyanato-2-propyl-
CAS No: 190774-57-3 Catalog No: AG002ESB MDL No:MFCD00673045
Product Description
Catalog Number:
AG002ESB
Chemical Name:
Benzene, 1-isocyanato-2-propyl-
CAS Number:
190774-57-3
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00673045
IUPAC Name:
1-isocyanato-2-propylbenzene
InChI:
InChI=1S/C10H11NO/c1-2-5-9-6-3-4-7-10(9)11-8-12/h3-4,6-7H,2,5H2,1H3
InChI Key:
NSGTVMQTRFUUSL-UHFFFAOYSA-N
SMILES:
CCCc1ccccc1N=C=O
Properties
Complexity:
173
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:
4.1
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