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4-bromo-3,5-dihydroxybenzoic acid

4-bromo-3,5-dihydroxybenzoic acid

CAS: 16534-12-6

Formula: C7H5BrO4

SMILES: OC(=O)C1=CC(O)=C(Br)C(O)=C1

IUPAC: 4-bromo-3,5-dihydroxybenzoic acid

InChI: InChI=1S/C7H5BrO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,(H,11,12)

Composition: C (36.08%), H (2.16%), Br (34.29%), O (27.46%)

Molar Mass: 233.017

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 231.937122
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey NUTRHYYFCDEALP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.9
Topological Polar Surface Area 77.76
Polarizability 17.04
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS UnitPrice
98% <14 Days 16534-12-6 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
99% <7 Days 16534-12-6 $5.18-$234.95$5.18$6.21$9.32$14.49$49.68$234.95
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AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 16534-12-6 $4.60-$16.10$4.60$5.75$16.10
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Shanghai AQ BioPharma Co., Ltd.
Purity LeadTime CAS PacketSize UnitPrice
91% <8 Days 16534-12-6 $5.71-$78.57$5.71$11.43$18.57$28.57$78.57
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