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Home > Boronic Acids > 839714-33-9
839714-33-9 | (1-Isopropyl-1H-pyrazol-5-yl)boronic acid
CAS No: 839714-33-9 Catalog No: AG00523S MDL No:MFCD11098002
Product Description
Catalog Number:
AG00523S
Chemical Name:
(1-Isopropyl-1H-pyrazol-5-yl)boronic acid
CAS Number:
839714-33-9
Molecular Formula:
C6H11BN2O2
Molecular Weight:
153.9747
MDL Number:
MFCD11098002
IUPAC Name:
(2-propan-2-ylpyrazol-3-yl)boronic acid
InChI:
InChI=1S/C6H11BN2O2/c1-5(2)9-6(7(10)11)3-4-8-9/h3-5,10-11H,1-2H3
InChI Key:
RWQOGZHKBNANKP-UHFFFAOYSA-N
SMILES:
OB(c1ccnn1C(C)C)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.091g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.976g/mol
Monoisotopic Mass:
154.091g/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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