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20260-53-1 | 3-Pyridinecarbonyl chloride, hydrochloride (1:1)
CAS No: 20260-53-1 Catalog No: AG0028CD MDL No:MFCD00012820
Product Description
Catalog Number:
AG0028CD
Chemical Name:
3-Pyridinecarbonyl chloride, hydrochloride (1:1)
CAS Number:
20260-53-1
Molecular Formula:
C6H5Cl2NO
Molecular Weight:
178.0160
MDL Number:
MFCD00012820
IUPAC Name:
pyridine-3-carbonyl chloride;hydrochloride
InChI:
InChI=1S/C6H4ClNO.ClH/c7-6(9)5-2-1-3-8-4-5;/h1-4H;1H
InChI Key:
MSYBLBLAMDYKKZ-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cccnc1.Cl
EC Number:
243-648-1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.975g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.012g/mol
Monoisotopic Mass:
176.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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