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1711-11-1 | 3-Cyanobenzoyl chloride
CAS No: 1711-11-1 Catalog No: AG003JC6 MDL No:MFCD00011545
Product Description
Catalog Number:
AG003JC6
Chemical Name:
3-Cyanobenzoyl chloride
CAS Number:
1711-11-1
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
MDL Number:
MFCD00011545
IUPAC Name:
3-cyanobenzoyl chloride
InChI:
InChI=1S/C8H4ClNO/c9-8(11)7-3-1-2-6(4-7)5-10/h1-4H
InChI Key:
RPESZQVUWMFBEO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)Cl
UNII:
M7ZY44HLSS
NSC Number:
210285
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.998g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.576g/mol
Monoisotopic Mass:
164.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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