3-Amino-4-bromonaphthalene-2-carboxylic Acid - CAS 5043-27-6
Catalog: |
BB061431 |
Product Name: |
3-Amino-4-bromonaphthalene-2-carboxylic Acid |
CAS: |
5043-27-6 |
Synonyms: |
3-AMINO-4-BROMO-2-NAPHTHOIC ACID; 3-AMINO-4-BROMONAPHTHALENE-2-CARBOXYLIC ACID; 3-AMINO-4-BROMO-2-NAPHTHOICACID |
IUPAC Name: | 3-amino-4-bromonaphthalene-2-carboxylic acid |
Molecular Weight: | 266.09 |
Molecular Formula: | C11H8BrNO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(C(=C2Br)N)C(=O)O |
InChI: | InChI=1S/C11H8BrNO2/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15/h1-5H,13H2,(H,14,15) |
InChI Key: | SKRCUYLIHAOELJ-UHFFFAOYSA-N |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.97384 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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