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102-49-8 | Benzenemethanamine, 3,4-dichloro-
CAS No: 102-49-8 Catalog No: AG00068M MDL No:MFCD00008114
Product Description
Catalog Number:
AG00068M
Chemical Name:
Benzenemethanamine, 3,4-dichloro-
CAS Number:
102-49-8
Molecular Formula:
C7H7Cl2N
Molecular Weight:
176.0432
MDL Number:
MFCD00008114
IUPAC Name:
(3,4-dichlorophenyl)methanamine
InChI:
InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChI Key:
IXHNFOOSLAWRBQ-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)Cl)Cl
EC Number:
203-035-1
NSC Number:
25065
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.996g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.04g/mol
Monoisotopic Mass:
174.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Benzylamines: synthesis and evaluation of antimycobacterial properties. | Journal of medicinal chemistry 19840901 |
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