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Home > Boronic Acids > 1287753-38-1
1287753-38-1 | [4-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]boronic acid
CAS No: 1287753-38-1 Catalog No: AG00HRUT MDL No:MFCD08059990
Product Description
Catalog Number:
AG00HRUT
Chemical Name:
[4-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]boronic acid
CAS Number:
1287753-38-1
Molecular Formula:
C11H12BClN2O2
Molecular Weight:
250.4892
MDL Number:
MFCD08059990
IUPAC Name:
[4-chloro-2-(3,5-dimethylpyrazol-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C11H12BClN2O2/c1-7-5-8(2)15(14-7)11-6-9(13)3-4-10(11)12(16)17/h3-6,16-17H,1-2H3
InChI Key:
RHBQEOVZNHLSCQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)n1nc(cc1C)C)B(O)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.489g/mol
Monoisotopic Mass:
250.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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