(2E,6E)-2,6-bis[(3-bromo-4-hydroxyphenyl)methylidene]cyclohexan-1-one

(2E,6E)-2,6-bis[(3-bromo-4-hydroxyphenyl)methylidene]cyclohexan-1-one

CAS: 932749-62-7

Formula: C20H16Br2O3

SMILES: OC1=CC=C(C=C2/CCCC(=C/C3=CC=C(O)C(Br)=C3)C2=O)C=C1Br

IUPAC: (2E,6E)-2,6-bis[(3-bromo-4-hydroxyphenyl)methylidene]cyclohexan-1-one

InChI: InChI=1S/C20H16Br2O3/c21-16-10-12(4-6-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-19(24)17(22)11-13/h4-11,23-24H,1-3H2/b14-8+,15-9+

Composition: C (51.75%), H (3.47%), Br (34.43%), O (10.34%)

Molar Mass: 464.153

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	461.94662
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YOLKEKNTCBWPSD-VOMDNODZSA-N
Lipinski's Rule of Five
Molar Refractivity	107.75
Topological Polar Surface Area	57.53
Polarizability	40.32
Ring Count	3
Rotatable Bond Count	2

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