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2-Bromo Carbidopa

CAT: 0572-TRC-B682075-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B682075-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246817-47-9
Synonyms
2-Bromo-alpha-hydrazinyl-4,5-dihydroxy-alpha-methylbenzenepropanoic Acid;
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CC(Cc1cc(O)c(O)cc1Br)(NN)C(=O)O
Molecular Formula
C10H13BrN2O4
Molecular Weight
305.13
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-(2-Bromo-4,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
CAS Number1246817-47-9
PubChem CID71314224
IUPAC Name3-(2-bromo-4,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
Molecular FormulaC10H13BrN2O4
Molecular Weight305.12
XLogP-1.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity291
SMILES
CC(CC1=CC(=C(C=C1Br)O)O)(C(=O)O)NN
InChI
InChI=1S/C10H13BrN2O4/c1-10(13-12,9(16)17)4-5-2-7(14)8(15)3-6(5)11/h2-3,13-15H,4,12H2,1H3,(H,16,17)
InChIKey
ZIBONFZRHFUWIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Bromo-4,5-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
CAS: 1246817-47-9
CID: 71314224
Formula: C10H13BrN2O4
MW: 305.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.12
XLogP3-1.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass304.00587
Monoisotopic Mass304.00587
Topological Polar Surface Area116 Ų
Heavy Atom Count17
Formal Charge0
Complexity291
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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