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1501-41-3 | 2(1H)-Quinoxalinone, 3-(bromomethyl)-1-methyl-
CAS No: 1501-41-3 Catalog No: AG001MBI MDL No:MFCD13192552
Product Description
Catalog Number:
AG001MBI
Chemical Name:
2(1H)-Quinoxalinone, 3-(bromomethyl)-1-methyl-
CAS Number:
1501-41-3
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
MDL Number:
MFCD13192552
IUPAC Name:
3-(bromomethyl)-1-methylquinoxalin-2-one
InChI:
InChI=1S/C10H9BrN2O/c1-13-9-5-3-2-4-7(9)12-8(6-11)10(13)14/h2-5H,6H2,1H3
InChI Key:
UADIEAODWPWLFL-UHFFFAOYSA-N
SMILES:
BrCc1nc2ccccc2n(c1=O)C
NSC Number:
75193
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:
0
Isotope Atom Count:
0
Molecular Weight:
253.099g/mol
Monoisotopic Mass:
251.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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