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161661-18-3 | 2-Naphthalenamine, 8-bromo-1,2,3,4-tetrahydro-, (2S)-
CAS No: 161661-18-3 Catalog No: AG001VRX MDL No:MFCD00671636
Product Description
Catalog Number:
AG001VRX
Chemical Name:
2-Naphthalenamine, 8-bromo-1,2,3,4-tetrahydro-, (2S)-
CAS Number:
161661-18-3
Molecular Formula:
C10H12BrN
Molecular Weight:
226.1130
MDL Number:
MFCD00671636
IUPAC Name:
(2S)-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
InChI:
InChI=1S/C10H12BrN/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-3,8H,4-6,12H2/t8-/m0/s1
InChI Key:
YNXLDZYAFGPNHL-QMMMGPOBSA-N
SMILES:
N[C@H]1CCc2c(C1)c(Br)ccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
225.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.117g/mol
Monoisotopic Mass:
225.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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