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Home Nitros 2-Bromo-4-(4-methoxyphenyl)methyl-6-nitroaniline

2-Bromo-4-(4-methoxyphenyl)methyl-6-nitroaniline

CAS No.:
1314987-29-5
Catalog Number:
AG000WBX
Molecular Formula:
C14H13BrN2O3
Molecular Weight:
337.1686
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$150
- +
5g
96%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG000WBX
Chemical Name:
2-Bromo-4-(4-methoxyphenyl)methyl-6-nitroaniline
CAS Number:
1314987-29-5
Molecular Formula:
C14H13BrN2O3
Molecular Weight:
337.1686
MDL Number:
MFCD19684094
IUPAC Name:
2-bromo-4-[(4-methoxyphenyl)methyl]-6-nitroaniline
InChI:
InChI=1S/C14H13BrN2O3/c1-20-11-4-2-9(3-5-11)6-10-7-12(15)14(16)13(8-10)17(18)19/h2-5,7-8H,6,16H2,1H3
InChI Key:
QZORVWPTRBWLPT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cc1cc(Br)c(c(c1)[N+](=O)[O-])N
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.011g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
337.173g/mol
Monoisotopic Mass:
336.011g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties