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137866-80-9 | Benzenemethanaminium, N,N,N-triethyl-2-nitro-, bromide (1:1)
CAS No: 137866-80-9 Catalog No: AG0013ZQ MDL No:
Product Description
Catalog Number:
AG0013ZQ
Chemical Name:
Benzenemethanaminium, N,N,N-triethyl-2-nitro-, bromide (1:1)
CAS Number:
137866-80-9
Molecular Formula:
C13H21BrN2O2
Molecular Weight:
317.2220
IUPAC Name:
triethyl-[(2-nitrophenyl)methyl]azanium;bromide
InChI:
InChI=1S/C13H21N2O2.BrH/c1-4-15(5-2,6-3)11-12-9-7-8-10-13(12)14(16)17;/h7-10H,4-6,11H2,1-3H3;1H/q+1;/p-1
InChI Key:
RJXWACLPUSWMFH-UHFFFAOYSA-M
SMILES:
CC[N+](Cc1ccccc1[N+](=O)[O-])(CC)CC.[Br-]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.227g/mol
Monoisotopic Mass:
316.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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