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(3-Bromopropyl) Phosphonicacid

CAT: 0127-OR1027186-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1027186-01Size:250 mg
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CAS Number
1190-09-6
Synonyms
3-bromopropylphosphonic acid
Purity
98%
Smiles
C(CP(=O)(O)O)CBr

Chemical Information

(3-Bromopropyl)phosphonic Acid
CAS Number1190-09-6
PubChem CID4376761
IUPAC Name3-bromopropylphosphonic acid
Molecular FormulaC3H8BrO3P
Molecular Weight202.97
XLogP-0.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity98
SMILES
C(CP(=O)(O)O)CBr
InChI
InChI=1S/C3H8BrO3P/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)
InChIKey
CXOIECRVHUDBSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Bromopropyl)phosphonic Acid
CAS: 1190-09-6
CID: 4376761
Formula: C3H8BrO3P
MW: 202.97
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight202.97
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass201.93944
Monoisotopic Mass201.93944
Topological Polar Surface Area57.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity98.7
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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