| CAS Number | 75816-19-2 |
| Catalog Number | AG00G335(AGN-PC-0OHPV4) |
| Chemical Name | 7-Bromo-l-tryptophan |
| IUPAC Name | (2S)-2-amino-3-(7-bromo-1H-indol-3-yl)propanoic acid |
| InChI | InChI=1S/C11H11BrN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1 |
| InChI Key | VMMOOBBCGTVDGP-VIFPVBQESA-N |
| MDL Number | MFCD09264335 |
| Molecular Formula | C11H11BrN2O2 |
| Molecular Weight | 283.1212 |
| SMILES | N[C@H](C(=O)O)CC1=CNC2=C(C=CC=C12)Br |
| Synonyms | 7-bromo-l-tryptophan,
7-BROMOTRYPTOPHAN,
75816-19-2,
(S)-2-amino-3-(7-bromo-1H-indol-3-yl)propanoic acid,
dl-7-bromo-tryptophan,
Tryptophan, 7-bromo-,
SCHEMBL1594834,
CTK3E7428,
ZINC9970530,
816B192,
CID11737641,
852391-45-8,
(2S)-2-amino-3-(7-bromo-1H-indol-3-yl)propanoic Acid,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.00039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.12g/mol |
| Monoisotopic Mass | 282.00039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number