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Home > Boronic Acids > 871332-83-1
871332-83-1 | (3-(Isopropylcarbamoyl);-5-nitrophenyl);boronic acid
CAS No: 871332-83-1 Catalog No: AG004TVE MDL No:MFCD07783875
Product Description
Catalog Number:
AG004TVE
Chemical Name:
(3-(Isopropylcarbamoyl);-5-nitrophenyl);boronic acid
CAS Number:
871332-83-1
Molecular Formula:
C10H13BN2O5
Molecular Weight:
252.0316
MDL Number:
MFCD07783875
IUPAC Name:
[3-nitro-5-(propan-2-ylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BN2O5/c1-6(2)12-10(14)7-3-8(11(15)16)5-9(4-7)13(17)18/h3-6,15-16H,1-2H3,(H,12,14)
InChI Key:
PYKABFXJAFKIRR-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1cc(cc(c1)[N+](=O)[O-])B(O)O)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.033g/mol
Monoisotopic Mass:
252.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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