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Bronopol

CAT: 0931-T0880-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0931-T0880-01Size:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52-51-7
Target
Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9985
Bioactivity
Bronopol (BNPD) is an antimicrobial agent with low mammalian toxicity (at in-use levels) and high activity against bacteria, especially the troublesome Gram-negative species.
Smiles
OCC(Br)(CO)[N+]([O-])=O
Molecular Formula
C3H6BrNO4
Molecular Weight
199.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bronopol

Bronopol is a nitro compound.

CAS Number52-51-7
PubChem CID2450
IUPAC Name2-bromo-2-nitropropane-1,3-diol
Molecular FormulaC3H6BrNO4
Molecular Weight199.99
XLogP-0.6
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity107
SMILES
C(C(CO)([N+](=O)[O-])Br)O
InChI
InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2
InChIKey
LVDKZNITIUWNER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bronopol
CAS: 52-51-7
CID: 2450
Formula: C3H6BrNO4
MW: 199.99
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight199.99
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass198.94802
Monoisotopic Mass198.94802
Topological Polar Surface Area86.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity107
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