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148991-42-8 | 1H-Pyrrole-1-acetic acid, 3-bromo-2,5-dihydro-2,5-dioxo-
CAS No: 148991-42-8 Catalog No: AG001LB5 MDL No:
Product Description
Catalog Number:
AG001LB5
Chemical Name:
1H-Pyrrole-1-acetic acid, 3-bromo-2,5-dihydro-2,5-dioxo-
CAS Number:
148991-42-8
Molecular Formula:
C6H4BrNO4
Molecular Weight:
234.0043
IUPAC Name:
2-(3-bromo-2,5-dioxopyrrol-1-yl)acetic acid
InChI:
InChI=1S/C6H4BrNO4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h1H,2H2,(H,10,11)
InChI Key:
NMPPQHRQLACFAB-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)C=C(C1=O)Br
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.932g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.005g/mol
Monoisotopic Mass:
232.932g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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