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114086-30-5 | 1H-Indazole-6-carboxylic acid, 3-bromo-
CAS No: 114086-30-5 Catalog No: AG000AIW MDL No:MFCD09263248
Product Description
Catalog Number:
AG000AIW
Chemical Name:
1H-Indazole-6-carboxylic acid, 3-bromo-
CAS Number:
114086-30-5
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD09263248
IUPAC Name:
3-bromo-2H-indazole-6-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-7-5-2-1-4(8(12)13)3-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChI Key:
PKOJMSAMIIFLSC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)[nH]nc2Br
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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