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3-bromo-N-propylaniline

3-bromo-N-propylaniline

CAS: 877065-06-0

Formula: C9H12BrN

SMILES: CCCNC1=CC(Br)=CC=C1

IUPAC: 3-bromo-N-propylaniline

InChI: InChI=1S/C9H12BrN/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7,11H,2,6H2,1H3

Composition: C (50.49%), H (5.65%), Br (37.32%), N (6.54%)

Molar Mass: 214.106

Atom Count: 23

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 213.015312
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey CMGLNHDCVVLYJQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.15
Topological Polar Surface Area 12.03
Polarizability 19.72
Ring Count 1
Rotatable Bond Count 3

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95% <5 Days 877065-06-0 $2,420.00-$3,740.00$2,420.00$3,080.00$3,740.00
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