Ketcher 06041915152D 1   1.00000     0.00000     0

  6  5  0     0  0            999 V2000
   16.9301  -14.7548    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.5281  -14.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6619  -14.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6619  -15.7548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7961  -14.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3942  -14.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  5  1  0     0  0
  2  6  1  0     0  0
M  END
> <ID>
CHEBI:143852

> <NAME>
1-chlorobutan-2-ol

> <DEFINITION>
A secondary alcohol that is butan-2-ol in which one of the methyl hydrogen atoms is substituted by chlorine.

> <STAR>
3

> <SYNONYM>
alpha-butylene chlorohydrin; 1-chloro-2-hydroxybutane; 1-chloro-2-butanol; 1-(chloromethyl)-1-propanol

> <IUPAC_NAME>
1-chlorobutan-2-ol

> <FORMULA>
C4H9ClO

> <MASS>
108.570

> <MONOISOTOPIC_MASS>
108.03419

> <CHARGE>
0

> <SMILES>
ClCC(CC)O

> <INCHI>
InChI=1S/C4H9ClO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3

> <INCHIKEY>
VNBFUGOVQMFIRN-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1873-25-2

> <PUBMED_CITATION>
30531924

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