| CAS Number | 1022961-12-1 |
| Catalog Number | AG00074P(AGN-PC-0WD679) |
| Chemical Name | Benzoic acid, 2-amino-3-chloro-5-fluoro- |
| IUPAC Name | 2-amino-3-chloro-5-fluorobenzoic acid |
| InChI | InChI=1S/C7H5ClFNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,10H2,(H,11,12) |
| InChI Key | VVVXUPVSKDWTEH-UHFFFAOYSA-N |
| MDL Number | MFCD11193640 |
| Molecular Formula | C7H5ClFNO2 |
| Molecular Weight | 189.5715 |
| SMILES | O=C(O)C1=CC(F)=CC(Cl)=C1N |
| Synonyms | 2-amino-3-chloro-5-fluorobenzoic acid,
1022961-12-1,
2-amino-3-chloro-5-fluoro-benzoic acid,
SCHEMBL2062742,
VVVXUPVSKDWTEH-UHFFFAOYSA-N,
MFCD11193640,
ZINC20475944,
AKOS009259858,
MCULE-7733905668,
AJ-77799,
AK155136,
AS-44173,
SY038415,
Benzoic acid, 2-amino-3-chloro-5-fluoro-,
Y1336,
MFCD11193640 (95%),
Z-6089,
Z1839480640,
C7H5ClFNO2,
ACN-045099,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.57g/mol |
| Monoisotopic Mass | 188.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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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Signal Words
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warning
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UN Code
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Certificate of Analysis
Lot Number