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Home > Boronic Acids > 827614-67-5
827614-67-5 | 4-Methoxy-3-nitrophenylboronic acid
CAS No: 827614-67-5 Catalog No: AG008IOR MDL No:MFCD03092922
Product Description
Catalog Number:
AG008IOR
Chemical Name:
4-Methoxy-3-nitrophenylboronic acid
CAS Number:
827614-67-5
Molecular Formula:
C7H8BNO5
Molecular Weight:
196.9531
MDL Number:
MFCD03092922
IUPAC Name:
(4-methoxy-3-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H8BNO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4,10-11H,1H3
InChI Key:
HAQVJQNWHRUPBH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[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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