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13070-21-8 | 1H-1,3,2-Diazaborepine, hexahydro-2-phenyl-
CAS No: 13070-21-8 Catalog No: AG000UU8 MDL No:
Product Description
Catalog Number:
AG000UU8
Chemical Name:
1H-1,3,2-Diazaborepine, hexahydro-2-phenyl-
CAS Number:
13070-21-8
Molecular Formula:
C10H15BN2
Molecular Weight:
174.0505
IUPAC Name:
2-phenyl-1,3,2-diazaborepane
InChI:
InChI=1S/C10H15BN2/c1-2-6-10(7-3-1)11-12-8-4-5-9-13-11/h1-3,6-7,12-13H,4-5,8-9H2
InChI Key:
FPKPKBFXQRBTKE-UHFFFAOYSA-N
SMILES:
C1CCNB(NC1)c1ccccc1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.133g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.054g/mol
Monoisotopic Mass:
174.133g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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