KEGG   COMPOUND: C19199Help
Entry
C19199                      Compound                               

Name
2,2-Bis(bromomethyl)propane-1,3-diol;
Pentaerythritol dibromide
Formula
C5H10Br2O2
Exact mass
259.9048
Mol weight
261.9397
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C19199  2,2-Bis(bromomethyl)propane-1,3-diol
BRITE hierarchy
Other DBs
CAS: 3296-90-0
PubChem: 124489871
ChEBI: 82294
ChEMBL: CHEMBL1407005
KCF data Show

ATOM        9
            1   C1d C    21.4900  -18.6900
            2   C1b C    22.8900  -18.6900
            3   C1b C    20.0900  -18.6900
            4   C1b C    21.4900  -17.2900
            5   C1b C    21.4900  -20.0900
            6   O1a O    23.5900  -19.9024
            7   X   Br   22.7024  -16.5900
            8   X   Br   20.2776  -20.7900
            9   O1a O    19.3900  -17.4776
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     4   7 1
            7     5   8 1
            8     3   9 1

» Japanese version

DBGET integrated database retrieval system