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7684-30-2 | 1-chloro-N,N-dimethyl-N-phenyl-methanimidamide
CAS No: 7684-30-2 Catalog No: AG005HJO MDL No:MFCD07687099
Product Description
Catalog Number:
AG005HJO
Chemical Name:
1-chloro-N,N-dimethyl-N-phenyl-methanimidamide
CAS Number:
7684-30-2
Molecular Formula:
C9H11ClN2
Molecular Weight:
182.6500
MDL Number:
MFCD07687099
IUPAC Name:
N,N-dimethyl-N'-phenylcarbamimidoyl chloride
InChI:
InChI=1S/C9H11ClN2/c1-12(2)9(10)11-8-6-4-3-5-7-8/h3-7H,1-2H3
InChI Key:
GEMHFKXPOCTAIP-UHFFFAOYSA-N
SMILES:
CN(C(=Nc1ccccc1)Cl)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.651g/mol
Monoisotopic Mass:
182.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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