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35290-97-2 | 4-Amino-5-Bromo-2-Methoxybenzenecarboxylic Acid
CAS No: 35290-97-2 Catalog No: AG003809 MDL No:MFCD02186027
Product Description
Catalog Number:
AG003809
Chemical Name:
4-Amino-5-Bromo-2-Methoxybenzenecarboxylic Acid
CAS Number:
35290-97-2
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD02186027
IUPAC Name:
4-amino-5-bromo-2-methoxybenzoic acid
InChI:
InChI=1S/C8H8BrNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
WHXLHIGUTBQVOF-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1C(=O)O)Br
EC Number:
252-491-8
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| 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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