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(2E)-3-(3-bromo-4-nitrophenyl)prop-2-enoic acid

(2E)-3-(3-bromo-4-nitrophenyl)prop-2-enoic acid

CAS: 1262012-96-3

Formula: C9H6BrNO4

SMILES: OC(=O)C=CC1=CC(Br)=C(C=C1)[N+]([O-])=O

IUPAC: (2E)-3-(3-bromo-4-nitrophenyl)prop-2-enoic acid

InChI: InChI=1S/C9H6BrNO4/c10-7-5-6(2-4-9(12)13)1-3-8(7)11(14)15/h1-5H,(H,12,13)/b4-2+

Composition: C (39.73%), H (2.22%), Br (29.37%), N (5.15%), O (23.52%)

Molar Mass: 272.054

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 270.948021
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LUGYEZCCSJKAMD-DUXPYHPUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57
Topological Polar Surface Area 80.44
Polarizability 21.07
Ring Count 1
Rotatable Bond Count 3

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95% <5 Days 1262012-96-3 $2,100.00$2,100.00
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