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Home > Boronic Acids > 957060-80-9
957060-80-9 | (5-Chloro-2-methyl-3-nitrophenyl)boronic acid
CAS No: 957060-80-9 Catalog No: AG00H843 MDL No:MFCD09027246
Product Description
Catalog Number:
AG00H843
Chemical Name:
(5-Chloro-2-methyl-3-nitrophenyl)boronic acid
CAS Number:
957060-80-9
Molecular Formula:
C7H7BClNO4
Molecular Weight:
215.3988
MDL Number:
MFCD09027246
IUPAC Name:
(5-chloro-2-methyl-3-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H7BClNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3,11-12H,1H3
InChI Key:
XAPQVXJDGQCREE-UHFFFAOYSA-N
SMILES:
Clc1cc(B(O)O)c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
222
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:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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