Home Halogens 1-bromo-2-chloro-4-isocyanatobenzene

1-bromo-2-chloro-4-isocyanatobenzene

CAS No.:
20059-86-3
Catalog Number:
AG01B380
Molecular Formula:
C7H3BrClNO
Molecular Weight:
232.4618
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Product Description
Catalog Number:
AG01B380
Chemical Name:
1-bromo-2-chloro-4-isocyanatobenzene
CAS Number:
20059-86-3
Molecular Formula:
C7H3BrClNO
Molecular Weight:
232.4618
MDL Number:
MFCD18390599
IUPAC Name:
1-bromo-2-chloro-4-isocyanatobenzene
InChI:
InChI=1S/C7H3BrClNO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChI Key:
QOGYRNCYNAPFRW-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)Cl)Br
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.909g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.461g/mol
Monoisotopic Mass:
230.909g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties