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Home > Boronic Acids > 479411-96-6
479411-96-6 | 3-Bromo-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile
CAS No: 479411-96-6 Catalog No: AG00DPSE MDL No:MFCD11846465
Product Description
Catalog Number:
AG00DPSE
Chemical Name:
3-Bromo-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile
CAS Number:
479411-96-6
Molecular Formula:
C13H15BBrNO2
Molecular Weight:
307.9787
MDL Number:
MFCD11846465
IUPAC Name:
3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H15BBrNO2/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7H,1-4H3
InChI Key:
RXYJIHWLAKWJTK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc(c1)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:
307.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.982g/mol
Monoisotopic Mass:
307.038g/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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