| CAS Number | 1219741-79-3 |
| Catalog Number | AG0016HV(AGN-PC-0WOFUY) |
| Chemical Name | Benzenamine, 4-bromo-5-fluoro-2-iodo- |
| IUPAC Name | 4-bromo-5-fluoro-2-iodoaniline |
| InChI | InChI=1S/C6H4BrFIN/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2 |
| InChI Key | WRXAKIDFFKPDQR-UHFFFAOYSA-N |
| MDL Number | MFCD26386356 |
| Molecular Formula | C6H4BrFIN |
| Molecular Weight | 315.9095 |
| SMILES | NC1=CC(F)=C(Br)C=C1I |
| Synonyms | 4-bromo-5-fluoro-2-iodoaniline,
1219741-79-3,
4-bromo-5-fluoro-2-iodo-phenylamine,
C6H4BrFIN,
SCHEMBL3481113,
WRXAKIDFFKPDQR-UHFFFAOYSA-N,
KS-000005HY,
2709AJ,
ZINC149856069,
FCH2427341,
Benzenamine, 4-bromo-5-fluoro-2-iodo-,
AK314534,
DS-12133,
PC500251,
SY039068,
CS-0050981,
MFCD26386356 (95%),
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.85559g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.91g/mol |
| Monoisotopic Mass | 314.85559g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number