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480439-00-7 | 4-Ethylphenethyl isocyanate
CAS No: 480439-00-7 Catalog No: AG003LC7 MDL No:
Product Description
Catalog Number:
AG003LC7
Chemical Name:
4-Ethylphenethyl isocyanate
CAS Number:
480439-00-7
IUPAC Name:
1-ethyl-4-(2-isocyanatoethyl)benzene
InChI:
InChI=1S/C11H13NO/c1-2-10-3-5-11(6-4-10)7-8-12-9-13/h3-6H,2,7-8H2,1H3
InChI Key:
RBYBLAVTEAMCBH-UHFFFAOYSA-N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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