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113612-87-6

113612-87-6 | 1H-1,2-Azaborole, 2,5-dihydro-

CAS No: 113612-87-6 Catalog No: AG00094F MDL No:

Product Description

Catalog Number:
AG00094F
Chemical Name:
1H-1,2-Azaborole, 2,5-dihydro-
CAS Number:
113612-87-6
Molecular Formula:
C3H6BN
Molecular Weight:
66.8974
IUPAC Name:
1,5-dihydro-1,2λ2-azaborole
InChI:
InChI=1S/C3H5BN/c1-2-4-5-3-1/h1-2,5H,3H2
InChI Key:
JPFPSXVIYQEFPF-UHFFFAOYSA-N
SMILES:
B1C=CCN1

Properties

Complexity:
50.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
66.052g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
65.89g/mol
Monoisotopic Mass:
66.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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