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132873-57-5 | Benzenemethanamine, α-methyl-4-nitro-, hydrochloride (1:1), (αS)-
CAS No: 132873-57-5 Catalog No: AG0011B6 MDL No:MFCD00066312
Product Description
Catalog Number:
AG0011B6
Chemical Name:
Benzenemethanamine, α-methyl-4-nitro-, hydrochloride (1:1), (αS)-
CAS Number:
132873-57-5
Molecular Formula:
C8H11ClN2O2
Molecular Weight:
202.6381
MDL Number:
MFCD00066312
IUPAC Name:
(1S)-1-(4-nitrophenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C8H10N2O2.ClH/c1-6(9)7-2-4-8(5-3-7)10(11)12;/h2-6H,9H2,1H3;1H/t6-;/m0./s1
InChI Key:
CZQQGVFHLSBEDV-RGMNGODLSA-N
SMILES:
C[C@@H](c1ccc(cc1)[N+](=O)[O-])N.Cl
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.638g/mol
Monoisotopic Mass:
202.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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