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Home Nitros N-Boc-2-methyl-4-nitroaniline

N-Boc-2-methyl-4-nitroaniline

CAS No.:
1389313-39-6
Catalog Number:
AG00HVC5
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$263
- +
5g
98%
In Stock USA
United States
$788
- +
Product Description
Catalog Number:
AG00HVC5
Chemical Name:
N-Boc-2-methyl-4-nitroaniline
CAS Number:
1389313-39-6
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD08272037
IUPAC Name:
tert-butyl N-(2-methyl-4-nitrophenyl)carbamate
InChI:
InChI=1S/C12H16N2O4/c1-8-7-9(14(16)17)5-6-10(8)13-11(15)18-12(2,3)4/h5-7H,1-4H3,(H,13,15)
InChI Key:
ZFXOMQBRXHEGKO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties