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328546-70-9

328546-70-9 | 3-(pyridin-4-yloxy)benzoic acid hydrochloride

CAS No: 328546-70-9 Catalog No: AG01AHSZ MDL No:MFCD18785586

Product Description

Catalog Number:
AG01AHSZ
Chemical Name:
3-(pyridin-4-yloxy)benzoic acid hydrochloride
CAS Number:
328546-70-9
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
MDL Number:
MFCD18785586
IUPAC Name:
3-pyridin-4-yloxybenzoic acid;hydrochloride
InChI:
InChI=1S/C12H9NO3.ClH/c14-12(15)9-2-1-3-11(8-9)16-10-4-6-13-7-5-10;/h1-8H,(H,14,15);1H
InChI Key:
HTNHUWABAPYTCM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Oc1ccncc1.Cl

Properties

Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.035g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.666g/mol
Monoisotopic Mass:
251.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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