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945391-06-0 | 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 945391-06-0 Catalog No: AG00IIBM MDL No:MFCD18072641
Product Description
Catalog Number:
AG00IIBM
Chemical Name:
3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
945391-06-0
Molecular Formula:
C13H15BClNO2
Molecular Weight:
263.5277
MDL Number:
MFCD18072641
IUPAC Name:
3-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)7-11(10)15/h5-7H,1-4H3
InChI Key:
AGVDMZNQFRCYMD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)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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