| CAS Number | 923693-67-8 |
| Catalog Number | AG006JAI(AGN-PC-0WAB48) |
| Chemical Name | 4-Bromo-1-chloro-2-isocyanatobenzene |
| IUPAC Name | 4-bromo-1-chloro-2-isocyanatobenzene |
| InChI | InChI=1S/C7H3BrClNO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H |
| InChI Key | FPGDDXYUBBNEOC-UHFFFAOYSA-N |
| MDL Number | MFCD08444551 |
| Molecular Formula | C7H3BrClNO |
| Molecular Weight | 232.4618 |
| SMILES | BrC1=CC(=C(C=C1)Cl)N=C=O |
| Synonyms | 5-Bromo-2-Chlorophenylisocyanate,
4-bromo-1-chloro-2-isocyanatobenzene,
923693-67-8,
AC1Q3HF1,
KSC495M2H,
SCHEMBL17027588,
CTK3J5623,
DTXSID00585488,
KS-000011LQ,
ANW-71127,
CL8866,
MFCD08444551,
ZINC20283535,
AKOS009115123,
AS-46127,
DB-006678,
RT-002614,
EN300-36318,
X-3596,
4-bromo-1-chloro-2-isocyanatobenzene, AldrichCPR,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number