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347146-16-1 | 8-Bromoquinoline-3-carboxylic acid
CAS No: 347146-16-1 Catalog No: AG0037ZV MDL No:MFCD18375331
Product Description
Catalog Number:
AG0037ZV
Chemical Name:
8-Bromoquinoline-3-carboxylic acid
CAS Number:
347146-16-1
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
MDL Number:
MFCD18375331
IUPAC Name:
8-bromoquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H6BrNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5H,(H,13,14)
InChI Key:
QMAXUQVGYIBBKN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)cccc2Br
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.067g/mol
Monoisotopic Mass:
250.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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