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78033-69-9 | 4-Bromo-1-oxyl-2,2,5,5-tetramethyl-δ3-pyrroline-3-carboxylic Acid
CAS No: 78033-69-9 Catalog No: AG0055FU MDL No:
Product Description
Catalog Number:
AG0055FU
Chemical Name:
4-Bromo-1-oxyl-2,2,5,5-tetramethyl-δ3-pyrroline-3-carboxylic Acid
CAS Number:
78033-69-9
Molecular Formula:
C9H13BrNO3-
Molecular Weight:
263.1084
IUPAC Name:
4-bromo-2,2,5,5-tetramethyl-1-oxidopyrrole-3-carboxylic acid
InChI:
InChI=1S/C9H13BrNO3/c1-8(2)5(7(12)13)6(10)9(3,4)11(8)14/h1-4H3,(H,12,13)/q-1
InChI Key:
WTNRXGOATCFQQO-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C(Br)C(N(C1(C)C)[O-])(C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.008g/mol
Formal Charge:
-1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.111g/mol
Monoisotopic Mass:
262.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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