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Home > Boronic Acids > 1983202-21-6
1983202-21-6 | 1-(Cyclopropylmethyl)pyrazole-4-boronic acid
CAS No: 1983202-21-6 Catalog No: AG00I3MV MDL No:MFCD21332947
Product Description
Catalog Number:
AG00I3MV
Chemical Name:
1-(Cyclopropylmethyl)pyrazole-4-boronic acid
CAS Number:
1983202-21-6
Molecular Formula:
C7H11BN2O2
Molecular Weight:
165.9854
MDL Number:
MFCD21332947
IUPAC Name:
[1-(cyclopropylmethyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C7H11BN2O2/c11-8(12)7-3-9-10(5-7)4-6-1-2-6/h3,5-6,11-12H,1-2,4H2
InChI Key:
ZLPPXAMWTWGISQ-UHFFFAOYSA-N
SMILES:
OB(c1cnn(c1)CC1CC1)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.091g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.987g/mol
Monoisotopic Mass:
166.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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