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Home > Bromides > 1040101-01-6
1040101-01-6 | 3-Bromo-1H-indazole-7-carboxylic acid
CAS No: 1040101-01-6 Catalog No: AG0038CK MDL No:MFCD11977526
Product Description
Catalog Number:
AG0038CK
Chemical Name:
3-Bromo-1H-indazole-7-carboxylic acid
CAS Number:
1040101-01-6
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD11977526
IUPAC Name:
3-bromo-2H-indazole-7-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-7-4-2-1-3-5(8(12)13)6(4)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChI Key:
SHOGUOJFKMABOH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1[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
Literature
| Title | Journal |
|---|---|
| Inhibitory effects of a series of 7-substituted-indazoles toward nitric oxide synthases: particular potency of 1H-indazole-7-carbonitrile. | Bioorganic & medicinal chemistry 20080601 |
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