Marvin  07090714492D          

 13 14  0  0  0  0            999 V2000
    2.9767    0.9551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1922    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1922   -0.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4777    1.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7632    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4777   -0.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9767   -0.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2728    0.2749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7632   -0.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0898   -0.5426    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2605    1.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0574    1.9433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  0  0  0  0
  8  1  1  0  0  0  0
  8  7  1  0  0  0  0
  1  2  1  0  0  0  0
  3  7  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  6  3  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  2  0  0  0  0
 10  6  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <ID>
CHEBI:38811

> <NAME>
6-chloro-3-(hydroxymethyl)benzoxazolin-2-one

> <STAR>
3

> <SYNONYM>
6-Chloro-3-(hydroxymethyl)benzoxazol-2(3H)-one; 6-Chloro-3-(hydroxymethyl)-2-benzoxazolinone

> <IUPAC_NAME>
6-chloro-3-(hydroxymethyl)-1,3-benzoxazol-2(3H)-one

> <FORMULA>
C8H6ClNO3

> <MASS>
199.59088

> <MONOISOTOPIC_MASS>
199.00362

> <CHARGE>
0

> <SMILES>
OCn1c2ccc(Cl)cc2oc1=O

> <INCHI>
InChI=1S/C8H6ClNO3/c9-5-1-2-6-7(3-5)13-8(12)10(6)4-11/h1-3,11H,4H2

> <INCHIKEY>
PYDBIEBVVJRJRV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1111149

> <CAS_REGISTRY_NUMBER>
2275-07-2

> <CHEMIDPLUS>
2275-07-2

$$$$