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2-Hydroxy-5-nitrobenzyl Chloride

CAT: 0572-TRC-H950793-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H950793-1GSize:1 g
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CAS Number
2973-19-5
Synonyms
2-(Chloromethyl)-4-nitrophenol;
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3261; Packing Group: II
Smiles
Oc1ccc(cc1CCl)[N+](=O)[O-]
Molecular Formula
C7H6ClNO3
Molecular Weight
187.58
Shipping Conditions
Room Temperature

Chemical Information

2-(Chloromethyl)-4-nitrophenol
CAS Number2973-19-5
PubChem CID76305
IUPAC Name2-(chloromethyl)-4-nitrophenol
Molecular FormulaC7H6ClNO3
Molecular Weight187.58
XLogP1.6
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity171
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])CCl)O
InChI
InChI=1S/C7H6ClNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2
InChIKey
PJNPZIYGODMAQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Chloromethyl)-4-nitrophenol
CAS: 2973-19-5
CID: 76305
Formula: C7H6ClNO3
MW: 187.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.58
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass187.0036207
Monoisotopic Mass187.0036207
Topological Polar Surface Area66.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity171
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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