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491-11-2

491-11-2 | 3-Chloro-4-nitrophenol

CAS No: 491-11-2 Catalog No: AG0038Q2 MDL No:MFCD00466090

Product Description

Catalog Number:
AG0038Q2
Chemical Name:
3-Chloro-4-nitrophenol
CAS Number:
491-11-2
Molecular Formula:
C6H4ClNO3
Molecular Weight:
173.5539
MDL Number:
MFCD00466090
IUPAC Name:
3-chloro-4-nitrophenol
InChI:
InChI=1S/C6H4ClNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
InChI Key:
DKTRZBWXGOPYIX-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)Cl)[N+](=O)[O-]
EC Number:
207-730-0

Properties

Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.988g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.552g/mol
Monoisotopic Mass:
172.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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