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102677-75-8 | Benzenemethanamine, 3-amino-5-chloro-, hydrochloride (1:2)
CAS No: 102677-75-8 Catalog No: AG00082G MDL No:MFCD03424325
Product Description
Catalog Number:
AG00082G
Chemical Name:
Benzenemethanamine, 3-amino-5-chloro-, hydrochloride (1:2)
CAS Number:
102677-75-8
Molecular Formula:
C7H11Cl3N2
Molecular Weight:
229.5346
MDL Number:
MFCD03424325
IUPAC Name:
3-(aminomethyl)-5-chloroaniline;dihydrochloride
InChI:
InChI=1S/C7H9ClN2.2ClH/c8-6-1-5(4-9)2-7(10)3-6;;/h1-3H,4,9-10H2;2*1H
InChI Key:
BXSBXNHFVUMBOZ-UHFFFAOYSA-N
SMILES:
NCc1cc(N)cc(c1)Cl.Cl.Cl
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
229.529g/mol
Monoisotopic Mass:
227.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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