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methyl 4-(5-bromopyrimidin-2-yl)buta-2,3-dienoate

methyl 4-(5-bromopyrimidin-2-yl)buta-2,3-dienoate

CAS: 2097068-58-9

Formula: C9H7BrN2O2

SMILES: COC(=O)C=C=CC1=NC=C(Br)C=N1

IUPAC: methyl 4-(5-bromopyrimidin-2-yl)buta-2,3-dienoate

InChI: InChI=1/C9H7BrN2O2/c1-14-9(13)4-2-3-8-11-5-7(10)6-12-8/h3-6H,1H3

Composition: C (42.38%), H (2.77%), Br (31.33%), N (10.98%), O (12.54%)

Molar Mass: 255.071

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 253.96909
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey WACCPDNUWKCWGA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.98
Topological Polar Surface Area 52.08
Polarizability 20.75
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2097068-58-9 $227.70-$4,597.70$227.70$342.70$572.70$802.70$1,147.70$4,597.70
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