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878807-37-5 | 6-Nitro-chroman-3-ylamine hydrochloride
CAS No: 878807-37-5 Catalog No: AG004IVO MDL No:
Product Description
Catalog Number:
AG004IVO
Chemical Name:
6-Nitro-chroman-3-ylamine hydrochloride
CAS Number:
878807-37-5
Molecular Formula:
C9H11ClN2O3
Molecular Weight:
230.6482
IUPAC Name:
6-nitro-3,4-dihydro-2H-chromen-3-amine;hydrochloride
InChI:
InChI=1S/C9H10N2O3.ClH/c10-7-3-6-4-8(11(12)13)1-2-9(6)14-5-7;/h1-2,4,7H,3,5,10H2;1H
InChI Key:
KHDAQGZUHJYFLD-UHFFFAOYSA-N
SMILES:
NC1COc2c(C1)cc(cc2)[N+](=O)[O-].Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.648g/mol
Monoisotopic Mass:
230.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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