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183209-26-9 | Benzene, 1-bromo-2-isocyano-
CAS No: 183209-26-9 Catalog No: AG0027EF MDL No:MFCD04117582
Product Description
Catalog Number:
AG0027EF
Chemical Name:
Benzene, 1-bromo-2-isocyano-
CAS Number:
183209-26-9
Molecular Formula:
C7H4BrN
Molecular Weight:
182.0174
MDL Number:
MFCD04117582
IUPAC Name:
1-bromo-2-isocyanobenzene
InChI:
InChI=1S/C7H4BrN/c1-9-7-5-3-2-4-6(7)8/h2-5H
InChI Key:
FXDYPEVMVGKJNS-UHFFFAOYSA-N
SMILES:
[C-]#[N+]c1ccccc1Br
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.953g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.02g/mol
Monoisotopic Mass:
180.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| ortho-Lithiophenyl isocyanide: a versatile precursor for 3H-quinazolin-4-ones and 3H-quinazolin-4-thiones. | Organic letters 20090115 |
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