Home Halogens potassium (3-((2-bromophenyl)amino)-3-oxopropyl)trifluoroborate

potassium (3-((2-bromophenyl)amino)-3-oxopropyl)trifluoroborate

CAS No.:
1705578-22-8
Catalog Number:
AG00ARSE
Molecular Formula:
C9H9BBrF3KNO
Molecular Weight:
333.9824
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Product Description
Catalog Number:
AG00ARSE
Chemical Name:
potassium (3-((2-bromophenyl)amino)-3-oxopropyl)trifluoroborate
CAS Number:
1705578-22-8
Molecular Formula:
C9H9BBrF3KNO
Molecular Weight:
333.9824
MDL Number:
MFCD28805719
IUPAC Name:
potassium;[3-(2-bromoanilino)-3-oxopropyl]-trifluoroboranuide
InChI:
InChI=1S/C9H9BBrF3NO.K/c11-7-3-1-2-4-8(7)15-9(16)5-6-10(12,13)14;/h1-4H,5-6H2,(H,15,16);/q-1;+1
InChI Key:
NMNOVUADSGZYFK-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1Br)CC[B-](F)(F)F.[K+]
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.955g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.985g/mol
Monoisotopic Mass:
332.955g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties