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306935-81-9 | Benzene, 4-butyl-1-isocyanato-2-methyl-
CAS No: 306935-81-9 Catalog No: AG0030WB MDL No:
Product Description
Catalog Number:
AG0030WB
Chemical Name:
Benzene, 4-butyl-1-isocyanato-2-methyl-
CAS Number:
306935-81-9
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
4-butyl-1-isocyanato-2-methylbenzene
InChI:
InChI=1S/C12H15NO/c1-3-4-5-11-6-7-12(13-9-14)10(2)8-11/h6-8H,3-5H2,1-2H3
InChI Key:
ZIDVZMFYBGXIBH-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c(c1)C)N=C=O
Properties
Complexity:
208
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:
5
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