Home Nitros Boronic acid, (2-methoxy-5-nitrophenyl)- (9CI)

Boronic acid, (2-methoxy-5-nitrophenyl)- (9CI)

CAS No.:
677746-35-9
Catalog Number:
AG006J8K
Molecular Formula:
C7H8BNO5
Molecular Weight:
196.9531
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Product Description
Catalog Number:
AG006J8K
Chemical Name:
Boronic acid, (2-methoxy-5-nitrophenyl)- (9CI)
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
Properties