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548797-51-9 | 2-Chloro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 548797-51-9 Catalog No: AG00DF2J MDL No:MFCD16996249
Product Description
Catalog Number:
AG00DF2J
Chemical Name:
2-Chloro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
548797-51-9
Molecular Formula:
C13H15BClNO2
Molecular Weight:
263.5277
MDL Number:
MFCD16996249
IUPAC Name:
2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H15BClNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10/h5-7H,1-4H3
InChI Key:
ZOSROBSLLRBHDG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.528g/mol
Monoisotopic Mass:
263.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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