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893723-53-0 | "3-bromo-1,8-naphthyridine-2-carboxylic acid"
CAS No: 893723-53-0 Catalog No: AG01FMND MDL No:MFCD06254347
Product Description
Catalog Number:
AG01FMND
Chemical Name:
"3-bromo-1,8-naphthyridine-2-carboxylic acid"
CAS Number:
893723-53-0
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
MDL Number:
MFCD06254347
IUPAC Name:
3-bromo-1,8-naphthyridine-2-carboxylic acid
InChI:
InChI=1S/C9H5BrN2O2/c10-6-4-5-2-1-3-11-8(5)12-7(6)9(13)14/h1-4H,(H,13,14)
InChI Key:
FAYPMMVMEAKHFF-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2ncccc2cc1Br
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:
2
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