Home Other Building Blocks 2,4-DIBROMOPHENYL ISOCYANATE

2,4-DIBROMOPHENYL ISOCYANATE

CAS No.:
55076-90-9
Catalog Number:
AG003FPY
Molecular Formula:
C7H3Br2NO
Molecular Weight:
276.9128
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Product Description
Catalog Number:
AG003FPY
Chemical Name:
2,4-DIBROMOPHENYL ISOCYANATE
CAS Number:
55076-90-9
Molecular Formula:
C7H3Br2NO
Molecular Weight:
276.9128
MDL Number:
MFCD00037026
IUPAC Name:
2,4-dibromo-1-isocyanatobenzene
InChI:
InChI=1S/C7H3Br2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChI Key:
CGEZHWIPFKRZBF-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1Br)Br
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.856g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.915g/mol
Monoisotopic Mass:
274.858g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties