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Home > Boronic Acids > 1150114-61-6
1150114-61-6 | Benzoic acid, 4-borono-3-nitro-, 1-(1-methylethyl) ester
CAS No: 1150114-61-6 Catalog No: AG000FMG MDL No:MFCD12025972
Product Description
Catalog Number:
AG000FMG
Chemical Name:
Benzoic acid, 4-borono-3-nitro-, 1-(1-methylethyl) ester
CAS Number:
1150114-61-6
Molecular Formula:
C10H12BNO6
Molecular Weight:
253.0164
MDL Number:
MFCD12025972
IUPAC Name:
(2-nitro-4-propan-2-yloxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C10H12BNO6/c1-6(2)18-10(13)7-3-4-8(11(14)15)9(5-7)12(16)17/h3-6,14-15H,1-2H3
InChI Key:
FKPAMQONBPBHMF-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccc(c(c1)[N+](=O)[O-])B(O)O)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.017g/mol
Monoisotopic Mass:
253.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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