Home Halogens Benzene, 1-bromo-2-isocyano-

Benzene, 1-bromo-2-isocyano-

CAS No.:
183209-26-9
Catalog Number:
AG0027EF
Molecular Formula:
C7H4BrN
Molecular Weight:
182.0174
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Product Description
Catalog Number:
AG0027EF
Chemical Name:
Benzene, 1-bromo-2-isocyano-
CAS Number:
183209-26-9
Molecular Formula:
C7H4BrN
Molecular Weight:
182.0174
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
Properties