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Home > Boronic Acids > 1165935-87-4
1165935-87-4 | 4-Chloro-3-cyanophenylboronic acid, pinacol ester
CAS No: 1165935-87-4 Catalog No: AG00947F MDL No:MFCD18730485
Product Description
Catalog Number:
AG00947F
Chemical Name:
4-Chloro-3-cyanophenylboronic acid, pinacol ester
CAS Number:
1165935-87-4
Molecular Formula:
C13H15BClNO2
Molecular Weight:
263.5277
MDL Number:
MFCD18730485
IUPAC Name:
2-chloro-5-(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)10-5-6-11(15)9(7-10)8-16/h5-7H,1-4H3
InChI Key:
YVINOEQKCKMTTK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Cl)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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