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(2E)-3-(2,4,6-tribromo-3-hydroxyphenyl)prop-2-enoic acid

(2E)-3-(2,4,6-tribromo-3-hydroxyphenyl)prop-2-enoic acid

CAS: 773133-35-0

Formula: C9H5Br3O3

SMILES: OC(=O)C=CC1=C(Br)C(O)=C(Br)C=C1Br

IUPAC: (2E)-3-(2,4,6-tribromo-3-hydroxyphenyl)prop-2-enoic acid

InChI: InChI=1S/C9H5Br3O3/c10-5-3-6(11)9(15)8(12)4(5)1-2-7(13)14/h1-3,15H,(H,13,14)/b2-1+

Composition: C (26.97%), H (1.26%), Br (59.80%), O (11.97%)

Molar Mass: 400.848

Atom Count: 20

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 397.778883
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey OQJKOQDUSPUYTK-OWOJBTEDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.91
Topological Polar Surface Area 57.53
Polarizability 25.97
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 773133-35-0 $1,474.00-$3,894.00$1,474.00$2,596.00$3,894.00
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