Methyl (2s)-2-Amino-3-(4-bromophenyl)propanoate - CAS 99359-33-8
Catalog: |
BB056539 |
Product Name: |
Methyl (2s)-2-Amino-3-(4-bromophenyl)propanoate |
CAS: |
99359-33-8 |
Synonyms: |
METHYL (2S)-2-AMINO-3-(4-BROMOPHENYL)PROPANOATE; (S)-Methyl 2-amino-3-(4-bromophenyl)propanoate; H-Phe(4-Br)-OMe; methyl 4-bromo-L-phenylalaninate; 4-Bromo-L-phenylalanine methyl ester |
IUPAC Name: | methyl (2S)-2-amino-3-(4-bromophenyl)propanoate |
Description: | Methyl (2s)-2-amino-3-(4-bromophenyl)propanoate |
Molecular Weight: | 258.11 |
Molecular Formula: | C10H12BrNO2 |
Canonical SMILES: | COC(=O)C(CC1=CC=C(C=C1)Br)N |
InChI: | InChI=1S/C10H12BrNO2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6,12H2,1H3/t9-/m0/s1 |
InChI Key: | YQWYXOBDKUWXCE-VIFPVBQESA-N |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.00514 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.00514 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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