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Bromomethylenediphosphonic Acid

CAT: 1596-AR-M01631-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01631-01Size:10 Units
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CAS Number
10596-21-1
Synonyms
(bromomethylene) diphosphonicacid; P, P'- (Bromomethylene) bisphosphonic Acid; (Bromomethylene) bisphosphonic Acid; Bromomethylenediphosphonic Acid, 90%
Molecular Formula
CH5BrO6P2
Molecular Weight
254.9
API Name
Methylenediphosphonic Acid

Chemical Information

Bromomethylenebis(phosphonic acid)

structure given in first source

CAS Number10596-21-1
PubChem CID151721
IUPAC Name[bromo(phosphono)methyl]phosphonic acid
Molecular FormulaCH5BrO6P2
Molecular Weight254.90
XLogP-2.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity178
SMILES
C(P(=O)(O)O)(P(=O)(O)O)Br
InChI
InChI=1S/CH5BrO6P2/c2-1(9(3,4)5)10(6,7)8/h1H,(H2,3,4,5)(H2,6,7,8)
InChIKey
WKBWYLXFNPONGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromomethylenebis(phosphonic acid)
CAS: 10596-21-1
CID: 151721
Formula: CH5BrO6P2
MW: 254.90
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.90
XLogP3-2.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass253.87447
Monoisotopic Mass253.87447
Topological Polar Surface Area115 Ų
Heavy Atom Count10
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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