Home Halogens 3,4-Dichloro-benzenepropanaMine

3,4-Dichloro-benzenepropanaMine

CAS No.:
76706-60-0
Catalog Number:
AG00GGI2
Molecular Formula:
C9H11Cl2N
Molecular Weight:
204.0963
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Product Description
Catalog Number:
AG00GGI2
Chemical Name:
3,4-Dichloro-benzenepropanaMine
CAS Number:
76706-60-0
Molecular Formula:
C9H11Cl2N
Molecular Weight:
204.0963
MDL Number:
MFCD09912884
IUPAC Name:
3-(3,4-dichlorophenyl)propan-1-amine
InChI:
InChI=1S/C9H11Cl2N/c10-8-4-3-7(2-1-5-12)6-9(8)11/h3-4,6H,1-2,5,12H2
InChI Key:
QDWHHNQJNXGPRJ-UHFFFAOYSA-N
SMILES:
NCCCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.094g/mol
Monoisotopic Mass:
203.027g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties