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Home > Boronic Acids > 677746-35-9
677746-35-9 | (2-Methoxy-5-nitrophenyl);boronic acid
CAS No: 677746-35-9 Catalog No: AG006J8K MDL No:MFCD10696662
Product Description
Catalog Number:
AG006J8K
Chemical Name:
(2-Methoxy-5-nitrophenyl);boronic acid
CAS Number:
677746-35-9
Molecular Formula:
C7H8BNO5
Molecular Weight:
196.9531
MDL Number:
MFCD10696662
IUPAC Name:
(2-methoxy-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H8BNO5/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key:
CCKCSFVTRYBXAW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)[N+](=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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