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137756-87-7 | Boronic acid, [4-[(2-nitro-1H-imidazol-1-yl)methyl]phenyl]- (9CI)
CAS No: 137756-87-7 Catalog No: AG0013ST MDL No:
Product Description
Catalog Number:
AG0013ST
Chemical Name:
Boronic acid, [4-[(2-nitro-1H-imidazol-1-yl)methyl]phenyl]- (9CI)
CAS Number:
137756-87-7
Molecular Formula:
C10H10BN3O4
Molecular Weight:
247.0151
IUPAC Name:
[4-[(2-nitroimidazol-1-yl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C10H10BN3O4/c15-11(16)9-3-1-8(2-4-9)7-13-6-5-12-10(13)14(17)18/h1-6,15-16H,7H2
InChI Key:
KCBMFWPZUXTRFV-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)Cn1ccnc1[N+](=O)[O-])O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.017g/mol
Monoisotopic Mass:
247.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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