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7006-52-2 | 3-Chloro-N-methylaniline
CAS No: 7006-52-2 Catalog No: AG003JAX MDL No:MFCD00052014
Product Description
Catalog Number:
AG003JAX
Chemical Name:
3-Chloro-N-methylaniline
CAS Number:
7006-52-2
Molecular Formula:
C7H8ClN
Molecular Weight:
141.5981
MDL Number:
MFCD00052014
IUPAC Name:
3-chloro-N-methylaniline
InChI:
InChI=1S/C7H8ClN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChI Key:
WFGYSQDPURFIFL-UHFFFAOYSA-N
SMILES:
CNc1cccc(c1)Cl
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.598g/mol
Monoisotopic Mass:
141.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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