2-Bromo-2-Nitropropane-1,3-Diol

CAT: 1299-RG-B181520-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-B181520-01Size:10 mg

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CAS Number

52-51-7

Synonyms

2-bromo-2-nitropropane-1,3-diol

Molecular Formula

C3H6BrNO4

Molecular Weight

199.99

Target Alternative Name

Bronopol

Product Name Synonym

2-bromo-2-nitropropane-1,3-diol

Chemical Information

Bronopol

Bronopol is a nitro compound.

CAS Number	52-51-7
PubChem CID	2450
IUPAC Name	2-bromo-2-nitropropane-1,3-diol
Molecular Formula	C3H6BrNO4
Molecular Weight	199.99
XLogP	-0.6
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	107

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

CAS: 52-51-7

CID: 2450

Formula: C3H6BrNO4

MW: 199.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.99
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	198.94802
Monoisotopic Mass	198.94802
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	107
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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RG-E200861-01	2-Ethylhexane-1,3-Diol
RG-A262402-01	3-Phenoxypropane-1,2-Diol
RG-A262031-01	2-Aminopropane-1,3-Diol
RG-C081281-01	2-Chloropropane-1,3-Diol
RG-E242604-01	2-methylpentane-1,3-diol
RG-P022845-01	3-Chlorobenzene-1,2-Diol
RG-A262593-01	2-Phenylpropane-1,3-Diol

Catalog	Name
OR75671-01	2-Methyl-2-nitropropane-1,3-diol
OR95375	2- (Hydroxymethyl) -2-nitropropane-1,3-diol
sc-229979	2-Bromo-2-nitropropane
B23060	2-Bromo-2-Nitropropane 97%
030925-01	2-Bromo-2-Nitropropane -1,3-Propanediol (Bronopol)
TRC-N519600-100ML	2-Nitropropane
FB67193-01	1- (3-Bromophenyl) -2-nitropropane
OR78431-01	2-Methyl-1-nitropropane
AQ A1 0001-01	1-fluoro-2-methyl-2-nitropropane
C16200	2-Chloro-2-nitropropane