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2-Chloro-4-nitro-N-methylaniline, 98%

Catalog Number
ACM6085923-1
CAS Number
6085-92-3
Product Name
2-Chloro-4-nitro-N-methylaniline, 98%
Structure
Category
Other Glass and Ceramic Materials
IUPAC Name
2-chloro-N-methyl-4-nitroaniline
Molecular Weight
186.59g/mol
Molecular Formula
C7H7ClN2O2
Canonical SMILES
CNC1=C(C=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H7ClN2O2/c1-9-7-3-2-5(10(11)12)4-6(7)8/h2-4,9H,1H3
InChI Key
XAAAOEAESNGEFK-UHFFFAOYSA-N
Complexity
171
Covalently-Bonded Unit Count
1
Exact Mass
186.019605g/mol
Formal Charge
0
Heavy Atom Count
12
Monoisotopic Mass
186.019605g/mol
Rotatable Bond Count
1
XLogP3
2.5
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