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1-bromo-4-[(1E)-2-nitroprop-1-en-1-yl]benzene

1-bromo-4-[(1E)-2-nitroprop-1-en-1-yl]benzene

CAS: 131981-75-4

Formula: C9H8BrNO2

SMILES: CC(=C/C1=CC=C(Br)C=C1)[N+]([O-])=O

IUPAC: 1-bromo-4-[(1E)-2-nitroprop-1-en-1-yl]benzene

InChI: InChI=1S/C9H8BrNO2/c1-7(11(12)13)6-8-2-4-9(10)5-3-8/h2-6H,1H3/b7-6+

Composition: C (44.66%), H (3.33%), Br (33.01%), N (5.79%), O (13.22%)

Molar Mass: 242.072

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 240.973842
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YHCYQNXJXRRFFM-VOTSOKGWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.49
Topological Polar Surface Area 43.14
Polarizability 20.37
Ring Count 1
Rotatable Bond Count 2

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97% <10 Days 131981-75-4 $45.94-$60.61$45.94$60.61
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