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Home > Boronic Acids > 1000068-23-4

1000068-23-4

1000068-23-4 | (1-(tert-Butoxycarbonyl)-4-methoxy-1H-indol-2-yl)boronic acid

CAS No: 1000068-23-4 Catalog No: AG00009I MDL No:MFCD11616286

Product Description

Catalog Number:
AG00009I
Chemical Name:
(1-(tert-Butoxycarbonyl)-4-methoxy-1H-indol-2-yl)boronic acid
CAS Number:
1000068-23-4
Molecular Formula:
C14H18BNO5
Molecular Weight:
291.1074
MDL Number:
MFCD11616286
IUPAC Name:
[4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
InChI:
InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-10-6-5-7-11(20-4)9(10)8-12(16)15(18)19/h5-8,18-19H,1-4H3
InChI Key:
BEXQWPHMBFKSLF-UHFFFAOYSA-N
SMILES:
COc1cccc2c1cc(n2C(=O)OC(C)(C)C)B(O)O

Properties

Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.128g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
291.11g/mol
Monoisotopic Mass:
291.128g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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