KEGG   COMPOUND: C06639Help
Entry
C06639                      Compound                               

Name
2,2-Bis(4'-chlorophenyl)ethanol;
DDOH
Formula
C14H12Cl2O
Exact mass
266.0265
Mol weight
267.1505
Structure
Mol fileKCF fileDB search
Reaction
Other DBs
CAS: 2642-82-2
PubChem: 8865
ChEBI: 28410
ChEMBL: CHEMBL3182945
3DMET: B01008
NIKKAJI: J2.162H
KCF data Show

ATOM        17
            1   C1c C    24.9197  -16.4579
            2   C8y C    26.1313  -17.1602
            3   C8y C    23.7024  -17.1545
            4   C1b C    24.9197  -15.0590
            5   C8x C    26.1313  -18.5592
            6   C8x C    27.3489  -16.4579
            7   C8x C    23.7024  -18.5592
            8   C8x C    22.4965  -16.4579
            9   O1a O    26.1313  -14.3567
            10  C8x C    27.3489  -19.2616
            11  C8x C    28.5545  -17.1602
            12  C8x C    22.4965  -19.2557
            13  C8x C    21.2791  -17.1545
            14  C8y C    28.5545  -18.5592
            15  C8y C    21.2791  -18.5592
            16  X   Cl   29.7661  -19.2616
            17  X   Cl   20.0675  -19.2557
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 2
            12    8  13 1
            13   10  14 2
            14   12  15 1
            15   14  16 1
            16   15  17 1
            17   11  14 1
            18   13  15 2

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