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811810-67-0 | 5-Chloro-7-nitro-2,3-dihydro-1,3-benzoxazol-2-one
CAS No: 811810-67-0 Catalog No: AG0055BT MDL No:MFCD09753602
Product Description
Catalog Number:
AG0055BT
Chemical Name:
5-Chloro-7-nitro-2,3-dihydro-1,3-benzoxazol-2-one
CAS Number:
811810-67-0
Molecular Formula:
C7H3ClN2O4
Molecular Weight:
214.5627
MDL Number:
MFCD09753602
IUPAC Name:
5-chloro-7-nitro-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C7H3ClN2O4/c8-3-1-4-6(14-7(11)9-4)5(2-3)10(12)13/h1-2H,(H,9,11)
InChI Key:
CRZGVTHVMCEWRC-UHFFFAOYSA-N
SMILES:
Clc1cc2[nH]c(=O)oc2c(c1)[N+](=O)[O-]
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.978g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.561g/mol
Monoisotopic Mass:
213.978g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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