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Home > Boronic Acids > 1377248-58-2
1377248-58-2 | Boronic acid, B-(3-methoxy-4-nitrophenyl)-
CAS No: 1377248-58-2 Catalog No: AG0013RQ MDL No:MFCD21609543
Product Description
Catalog Number:
AG0013RQ
Chemical Name:
Boronic acid, B-(3-methoxy-4-nitrophenyl)-
CAS Number:
1377248-58-2
Molecular Formula:
C7H8BNO5
Molecular Weight:
196.9531
MDL Number:
MFCD21609543
IUPAC Name:
(3-methoxy-4-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H8BNO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4,10-11H,1H3
InChI Key:
JRILQEOSUUIULP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])B(O)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.953g/mol
Monoisotopic Mass:
197.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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