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122779-41-3 | Benzenemethanamine, α-methyl-2-nitro-, (R)- (9CI)
CAS No: 122779-41-3 Catalog No: AG000JGU MDL No:MFCD06761824
Product Description
Catalog Number:
AG000JGU
Chemical Name:
Benzenemethanamine, α-methyl-2-nitro-, (R)- (9CI)
CAS Number:
122779-41-3
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD06761824
IUPAC Name:
(1R)-1-(2-nitrophenyl)ethanamine
InChI:
InChI=1S/C8H10N2O2/c1-6(9)7-4-2-3-5-8(7)10(11)12/h2-6H,9H2,1H3/t6-/m1/s1
InChI Key:
UWYAACMYPJUURZ-ZCFIWIBFSA-N
SMILES:
[O-][N+](=O)c1ccccc1[C@H](N)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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