4-Amino-3-bromo-5-nitrobenzoic acid - CAS 556651-33-3
Catalog: |
BB075098 |
Product Name: |
4-Amino-3-bromo-5-nitrobenzoic acid |
CAS: |
556651-33-3 |
Synonyms: |
4-Amino-3-bromo-5-nitrobenzoic acid; 4-Amino-3-bromo-5-nitro-benzoic acid; 4-Amino-3-bromo-5-nitrobenzoicacid |
IUPAC Name: | 4-amino-3-bromo-5-nitrobenzoic acid |
Description: | 4-Amino-3-bromo-5-nitrobenzoic acid |
Molecular Weight: | 261.03 |
Molecular Formula: | C7H5BrN2O4 |
Canonical SMILES: | C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)C(=O)O |
InChI: | InChI=1S/C7H5BrN2O4/c8-4-1-3(7(11)12)2-5(6(4)9)10(13)14/h1-2H,9H2,(H,11,12) |
InChI Key: | JCSIZMVUEBODFZ-UHFFFAOYSA-N |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.94327 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.94327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 109Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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