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128-08-5

128-08-5 | 2,5-Pyrrolidinedione, 1-bromo-

CAS No: 128-08-5 Catalog No: AG000XO3 MDL No:MFCD00005510

Product Description

Catalog Number:
AG000XO3
Chemical Name:
2,5-Pyrrolidinedione, 1-bromo-
CAS Number:
128-08-5
Molecular Formula:
C4H4BrNO2
Molecular Weight:
177.9841
MDL Number:
MFCD00005510
IUPAC Name:
1-bromopyrrolidine-2,5-dione
InChI:
InChI=1S/C4H4BrNO2/c5-6-3(7)1-2-4(6)8/h1-2H2
InChI Key:
PCLIMKBDDGJMGD-UHFFFAOYSA-N
SMILES:
BrN1C(=O)CCC1=O
EC Number:
204-877-2
UNII:
K8G1F2UCJF
NSC Number:
16

Properties

Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.943g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.985g/mol
Monoisotopic Mass:
176.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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