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5794-88-7 | 2-Amino-5-Bromobenzoic Acid
CAS No: 5794-88-7 Catalog No: AG00333K MDL No:MFCD00007823
Product Description
Catalog Number:
AG00333K
Chemical Name:
2-Amino-5-Bromobenzoic Acid
CAS Number:
5794-88-7
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD00007823
IUPAC Name:
2-amino-5-bromobenzoic acid
InChI:
InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChI Key:
CUKXRHLWPSBCTI-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(=O)O)N
EC Number:
227-338-3
UNII:
Q30190723F
NSC Number:
97201
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| FT-IR, FT-Raman, UV spectra and DFT calculations on monomeric and dimeric structure of 2-amino-5-bromobenzoic acid. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120201 |
| FT-IR, Raman and DFT study of 2-amino-5-fluorobenzoic acid and its biological activity with other halogen (Cl, Br) substitution. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110701 |
| Synthesis of some new tricyclic 4(3H)-quinazolinone derivatives. | Research in pharmaceutical sciences 20110101 |
| New 6-Bromo-2-Methyl-3-(Substituted Phenyl)-(3H)-Quinazolin-4-Ones with Antimicrobial and Antiinflammatory Activities. | Indian journal of pharmaceutical sciences 20110101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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