3-[4-(Benzyloxy)-3-bromophenyl]-β-alanine - CAS 299438-98-5
Catalog: |
BB073444 |
Product Name: |
3-[4-(Benzyloxy)-3-bromophenyl]-β-alanine |
CAS: |
299438-98-5 |
Synonyms: |
3-amino-3-[4-(benzyloxy)-3-bromophenyl]propanoic acid; 3-amino-3-(3-bromo-4-phenylmethoxyphenyl)propanoic acid; 3-[4-(benzyloxy)-3-bromophenyl]-beta-alanine |
IUPAC Name: | 3-amino-3-(3-bromo-4-phenylmethoxyphenyl)propanoic acid |
Description: | 3-[4-(Benzyloxy)-3-bromophenyl]-beta-alanine |
Molecular Weight: | 350.21 |
Molecular Formula: | C16H16BrNO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(CC(=O)O)N)Br |
InChI: | InChI=1S/C16H16BrNO3/c17-13-8-12(14(18)9-16(19)20)6-7-15(13)21-10-11-4-2-1-3-5-11/h1-8,14H,9-10,18H2,(H,19,20) |
InChI Key: | UVUOXDNGWACRSJ-UHFFFAOYSA-N |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 349.03136 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 349.03136 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 72.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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