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2-bromobenzene-1,4-dicarboxylic acid

2-bromobenzene-1,4-dicarboxylic acid

CAS: 586-35-6

Formula: C8H5BrO4

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

IUPAC: 2-bromobenzene-1,4-dicarboxylic acid

InChI: InChI=1S/C8H5BrO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)

Composition: C (39.22%), H (2.06%), Br (32.61%), O (26.12%)

Molar Mass: 245.028

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 243.937122
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey QPBGNSFASPVGTP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.19
Topological Polar Surface Area 74.6
Polarizability 18.14
Ring Count 1
Rotatable Bond Count 2

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