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Home > Boronic Acids > 1217500-80-5
1217500-80-5 | Boronic acid, B-[2-(chloromethyl)-5-nitrophenyl]-
CAS No: 1217500-80-5 Catalog No: AG0015QT MDL No:MFCD12025991
Product Description
Catalog Number:
AG0015QT
Chemical Name:
Boronic acid, B-[2-(chloromethyl)-5-nitrophenyl]-
CAS Number:
1217500-80-5
Molecular Formula:
C7H7BClNO4
Molecular Weight:
215.3988
MDL Number:
MFCD12025991
IUPAC Name:
[2-(chloromethyl)-5-nitrophenyl]boronic acid
InChI:
InChI=1S/C7H7BClNO4/c9-4-5-1-2-6(10(13)14)3-7(5)8(11)12/h1-3,11-12H,4H2
InChI Key:
BUTLINWGOGSREG-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1B(O)O)[N+](=O)[O-]
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.016g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.396g/mol
Monoisotopic Mass:
215.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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