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137756-88-8 | Boronic acid, [4-[2-(2-nitro-1H-imidazol-1-yl)ethyl]phenyl]- (9CI)
CAS No: 137756-88-8 Catalog No: AG0013SS MDL No:
Product Description
Catalog Number:
AG0013SS
Chemical Name:
Boronic acid, [4-[2-(2-nitro-1H-imidazol-1-yl)ethyl]phenyl]- (9CI)
CAS Number:
137756-88-8
Molecular Formula:
C11H12BN3O4
Molecular Weight:
261.0417
IUPAC Name:
[4-[2-(2-nitroimidazol-1-yl)ethyl]phenyl]boronic acid
InChI:
InChI=1S/C11H12BN3O4/c16-12(17)10-3-1-9(2-4-10)5-7-14-8-6-13-11(14)15(18)19/h1-4,6,8,16-17H,5,7H2
InChI Key:
FAEPTDPTTLFNSI-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CCn1ccnc1[N+](=O)[O-])O
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.044g/mol
Monoisotopic Mass:
261.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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