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852058-15-2 | 2(1H)-Quinoxalinone, 3-(1-bromoethyl)-
CAS No: 852058-15-2 Catalog No: AG004MFX MDL No:
Product Description
Catalog Number:
AG004MFX
Chemical Name:
2(1H)-Quinoxalinone, 3-(1-bromoethyl)-
CAS Number:
852058-15-2
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
IUPAC Name:
3-(1-bromoethyl)-1H-quinoxalin-2-one
InChI:
InChI=1S/C10H9BrN2O/c1-6(11)9-10(14)13-8-5-3-2-4-7(8)12-9/h2-6H,1H3,(H,13,14)
InChI Key:
YKHIAVHGPXGBIR-UHFFFAOYSA-N
SMILES:
CC(c1nc2ccccc2[nH]c1=O)Br
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.099g/mol
Monoisotopic Mass:
251.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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