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130597-56-7 | Benzenamine, 4-(chloromethyl)-N-methyl-2-nitro-
CAS No: 130597-56-7 Catalog No: AG000UOB MDL No:MFCD18157685
Product Description
Catalog Number:
AG000UOB
Chemical Name:
Benzenamine, 4-(chloromethyl)-N-methyl-2-nitro-
CAS Number:
130597-56-7
Molecular Formula:
C8H9ClN2O2
Molecular Weight:
200.6223
MDL Number:
MFCD18157685
IUPAC Name:
4-(chloromethyl)-N-methyl-2-nitroaniline
InChI:
InChI=1S/C8H9ClN2O2/c1-10-7-3-2-6(5-9)4-8(7)11(12)13/h2-4,10H,5H2,1H3
InChI Key:
VYTKQQBCZAWJMA-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1[N+](=O)[O-])CCl
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.622g/mol
Monoisotopic Mass:
200.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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