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2-chloro-4-nitro-N,N-dipropylaniline

2-chloro-4-nitro-N,N-dipropylaniline

CAS: 6216-91-7

Formula: C12H17ClN2O2

SMILES: CCCN(CCC)C1=CC=C(C=C1Cl)[N+]([O-])=O

IUPAC: 2-chloro-4-nitro-N,N-dipropylaniline

InChI: InChI=1S/C12H17ClN2O2/c1-3-7-14(8-4-2)12-6-5-10(15(16)17)9-11(12)13/h5-6,9H,3-4,7-8H2,1-2H3

Composition: C (56.14%), H (6.67%), Cl (13.81%), N (10.91%), O (12.46%)

Molar Mass: 256.73

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 256.0978555
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey OYJJPFCGGNTTTO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.16
Topological Polar Surface Area 46.38
Polarizability 26.27
Ring Count 1
Rotatable Bond Count 6

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Frinton Laboratories, Inc.
Purity LeadTime CAS PacketSize UnitPrice
95% <10 Days 6216-91-7 $49.50$49.50
Oily liquid
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