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64172-73-2 | 3-Pyridinecarbonyl chloride, 4,5-dimethyl- (9CI)
CAS No: 64172-73-2 Catalog No: AG00F6W2 MDL No:
Product Description
Catalog Number:
AG00F6W2
Chemical Name:
3-Pyridinecarbonyl chloride, 4,5-dimethyl- (9CI)
CAS Number:
64172-73-2
Molecular Formula:
C8H8ClNO
Molecular Weight:
169.6082
IUPAC Name:
4,5-dimethylpyridine-3-carbonyl chloride
InChI:
InChI=1S/C8H8ClNO/c1-5-3-10-4-7(6(5)2)8(9)11/h3-4H,1-2H3
InChI Key:
TWUARRZDMRKXDY-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cncc(c1C)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.608g/mol
Monoisotopic Mass:
169.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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