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(2E)-bis[(3,5-dibromo-2-hydroxyphenyl)methyl]but-2-enedioic acid

(2E)-bis[(3,5-dibromo-2-hydroxyphenyl)methyl]but-2-enedioic acid

CAS: 71337-53-6

Formula: C18H12Br4O6

SMILES: OC(=O)C(CC1=CC(Br)=CC(Br)=C1O)=C(/CC1=C(O)C(Br)=CC(Br)=C1)C(O)=O

IUPAC: (2E)-bis[(3,5-dibromo-2-hydroxyphenyl)methyl]but-2-enedioic acid

InChI: InChI=1S/C18H12Br4O6/c19-9-1-7(15(23)13(21)5-9)3-11(17(25)26)12(18(27)28)4-8-2-10(20)6-14(22)16(8)24/h1-2,5-6,23-24H,3-4H2,(H,25,26)(H,27,28)/b12-11+

Composition: C (33.58%), H (1.88%), Br (49.64%), O (14.91%)

Molar Mass: 643.904

Atom Count: 40

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 639.73674
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey XZBYHIGGUAKYHF-VAWYXSNFSA-N
Lipinski's Rule of Five
Molar Refractivity 117.17
Topological Polar Surface Area 115.06
Polarizability 45.14
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 71337-53-6 $27.74-$248.42$27.74$248.42
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