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79674-66-1 | 2-(5-Bromopyridin-2-yl)oxyacetic acid
CAS No: 79674-66-1 Catalog No: AG005INL MDL No:MFCD00835587
Product Description
Catalog Number:
AG005INL
Chemical Name:
2-(5-Bromopyridin-2-yl)oxyacetic acid
CAS Number:
79674-66-1
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD00835587
IUPAC Name:
2-(5-bromopyridin-2-yl)oxyacetic acid
InChI:
InChI=1S/C7H6BrNO3/c8-5-1-2-6(9-3-5)12-4-7(10)11/h1-3H,4H2,(H,10,11)
InChI Key:
XJUFARLLBCMIAD-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cn1)Br
NSC Number:
190660
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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