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77093-93-7 | 2-((2-CHLOROETHYL)AMINO)-4H-3,1-BENZOXAZIN-4-ONE
CAS No: 77093-93-7 Catalog No: AG005EF9 MDL No:
Product Description
Catalog Number:
AG005EF9
Chemical Name:
2-((2-CHLOROETHYL)AMINO)-4H-3,1-BENZOXAZIN-4-ONE
CAS Number:
77093-93-7
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
IUPAC Name:
2-(2-chloroethylamino)-3,1-benzoxazin-4-one
InChI:
InChI=1S/C10H9ClN2O2/c11-5-6-12-10-13-8-4-2-1-3-7(8)9(14)15-10/h1-4H,5-6H2,(H,12,13)
InChI Key:
KFSRFZLPZZONHH-UHFFFAOYSA-N
SMILES:
ClCCNc1nc2ccccc2c(=O)o1
NSC Number:
349795
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.644g/mol
Monoisotopic Mass:
224.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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