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Home > Boronic Acids > 110569-50-1
110569-50-1 | 1H-Tetrazaborole, 4,5-dihydro-1,5-dimethyl-4-(phenylmethyl)-
CAS No: 110569-50-1 Catalog No: AG007CNM MDL No:
Product Description
Catalog Number:
AG007CNM
Chemical Name:
1H-Tetrazaborole, 4,5-dihydro-1,5-dimethyl-4-(phenylmethyl)-
CAS Number:
110569-50-1
Molecular Formula:
C9H13BN4
Molecular Weight:
188.0373
IUPAC Name:
1-benzyl-4,5-dimethyltetrazaborole
InChI:
InChI=1S/C9H13BN4/c1-10-13(2)11-12-14(10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key:
CWQAEARCZIICTF-UHFFFAOYSA-N
SMILES:
CB1N(N=NN1C)Cc1ccccc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.123g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.041g/mol
Monoisotopic Mass:
188.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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