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207728-74-3 | Benzoic acid, 2,4,6-tribromo-3-hydroxy-, hydrate (1:1)
CAS No: 207728-74-3 Catalog No: AG002J8S MDL No:MFCD04972078
Product Description
Catalog Number:
AG002J8S
Chemical Name:
Benzoic acid, 2,4,6-tribromo-3-hydroxy-, hydrate (1:1)
CAS Number:
207728-74-3
Molecular Formula:
C7H5Br3O4
Molecular Weight:
392.8242
MDL Number:
MFCD04972078
IUPAC Name:
2,4,6-tribromo-3-hydroxybenzoic acid;hydrate
InChI:
InChI=1S/C7H3Br3O3.H2O/c8-2-1-3(9)6(11)5(10)4(2)7(12)13;/h1,11H,(H,12,13);1H2
InChI Key:
YIHVBQUJDRETAC-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)cc(c(c1Br)O)Br.O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.772g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
392.825g/mol
Monoisotopic Mass:
389.774g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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