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885521-20-0 | 4-Amino-3-bromo-1H-indazole-6-carboxylic acid
CAS No: 885521-20-0 Catalog No: AG004CPE MDL No:MFCD07781729
Product Description
Catalog Number:
AG004CPE
Chemical Name:
4-Amino-3-bromo-1H-indazole-6-carboxylic acid
CAS Number:
885521-20-0
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
MDL Number:
MFCD07781729
IUPAC Name:
4-amino-3-bromo-2H-indazole-6-carboxylic acid
InChI:
InChI=1S/C8H6BrN3O2/c9-7-6-4(10)1-3(8(13)14)2-5(6)11-12-7/h1-2H,10H2,(H,11,12)(H,13,14)
InChI Key:
YLNXBZQYTHDSLD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(N)c2c(c1)[nH]nc2Br
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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