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480439-24-5 | 4-Bromo-2-ethylphenyl isocyanate
CAS No: 480439-24-5 Catalog No: AG003KWH MDL No:MFCD04039896
Product Description
Catalog Number:
AG003KWH
Chemical Name:
4-Bromo-2-ethylphenyl isocyanate
CAS Number:
480439-24-5
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD04039896
IUPAC Name:
4-bromo-2-ethyl-1-isocyanatobenzene
InChI:
InChI=1S/C9H8BrNO/c1-2-7-5-8(10)3-4-9(7)11-6-12/h3-5H,2H2,1H3
InChI Key:
FLIAQDYICDWTPW-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1CC)Br
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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