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210775-52-3 | Benzenamine, 3-(1,3,2-dioxaborinan-2-yl)-
CAS No: 210775-52-3 Catalog No: AG002KYG MDL No:
Product Description
Catalog Number:
AG002KYG
Chemical Name:
Benzenamine, 3-(1,3,2-dioxaborinan-2-yl)-
CAS Number:
210775-52-3
Molecular Formula:
C9H12BNO2
Molecular Weight:
177.0081
IUPAC Name:
3-(1,3,2-dioxaborinan-2-yl)aniline
InChI:
InChI=1S/C9H12BNO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7H,2,5-6,11H2
InChI Key:
GBHALPQORITFRG-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)B1OCCCO1
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.096g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.01g/mol
Monoisotopic Mass:
177.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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