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Home > Bromides > 1022128-98-8
1022128-98-8 | 3-Pyridinepropanoic acid, 5-bromo-
CAS No: 1022128-98-8 Catalog No: AG0006XT MDL No:MFCD11042449
Product Description
Catalog Number:
AG0006XT
Chemical Name:
3-Pyridinepropanoic acid, 5-bromo-
CAS Number:
1022128-98-8
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD11042449
IUPAC Name:
3-(5-bromopyridin-3-yl)propanoic acid
InChI:
InChI=1S/C8H8BrNO2/c9-7-3-6(4-10-5-7)1-2-8(11)12/h3-5H,1-2H2,(H,11,12)
InChI Key:
MZIRJKCDGHPTMM-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cncc(c1)Br
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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