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Home Boronic acids 1-(Cyclopropylmethyl)-1H-pyrazole-5-boronic acid, dihydrate

1-(Cyclopropylmethyl)-1H-pyrazole-5-boronic acid, dihydrate

CAS No.:
2096334-18-6
Catalog Number:
AG01EHEV
Molecular Formula:
C7H15BN2O4
Molecular Weight:
202.0160
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$438
- +
1g
95%
In Stock USA
United States
$813
- +
Product Description
Catalog Number:
AG01EHEV
Chemical Name:
1-(Cyclopropylmethyl)-1H-pyrazole-5-boronic acid, dihydrate
CAS Number:
2096334-18-6
Molecular Formula:
C7H15BN2O4
Molecular Weight:
202.0160
MDL Number:
MFCD22205765
IUPAC Name:
[2-(cyclopropylmethyl)pyrazol-3-yl]boronic acid;dihydrate
InChI:
InChI=1S/C7H11BN2O2.2H2O/c11-8(12)7-3-4-9-10(7)5-6-1-2-6;;/h3-4,6,11-12H,1-2,5H2;2*1H2
InChI Key:
JYFMKTBMMXKIEE-UHFFFAOYSA-N
SMILES:
OB(c1ccnn1CC1CC1)O.O.O
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.112g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
202.017g/mol
Monoisotopic Mass:
202.112g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties