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197507-55-4 | 1,6-Naphthyridine-2-carboxylic acid, 8-bromo-
CAS No: 197507-55-4 Catalog No: AG002AV1 MDL No:MFCD04037919
Product Description
Catalog Number:
AG002AV1
Chemical Name:
1,6-Naphthyridine-2-carboxylic acid, 8-bromo-
CAS Number:
197507-55-4
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
MDL Number:
MFCD04037919
IUPAC Name:
8-bromo-1,6-naphthyridine-2-carboxylic acid
InChI:
InChI=1S/C9H5BrN2O2/c10-6-4-11-3-5-1-2-7(9(13)14)12-8(5)6/h1-4H,(H,13,14)
InChI Key:
ISJKXVUODLFGIU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(n1)c(Br)cnc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.055g/mol
Monoisotopic Mass:
251.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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