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methyl 2-amino-4-bromobenzoate

methyl 2-amino-4-bromobenzoate

CAS: 135484-83-2

Formula: C8H8BrNO2

SMILES: COC(=O)C1=CC=C(Br)C=C1N

IUPAC: methyl 2-amino-4-bromobenzoate

InChI: InChI=1S/C8H8BrNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3

Composition: C (41.77%), H (3.51%), Br (34.73%), N (6.09%), O (13.91%)

Molar Mass: 230.061

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.973842
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MMSODGJNFCCKAZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.41
Topological Polar Surface Area 52.32
Polarizability 18.8
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS UnitPrice
98% <14 Days 135484-83-2 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 135484-83-2 $5.18-$34.16$5.18$9.32$15.53$34.16
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 135484-83-2 $5.75-$640.55$5.75$11.50$21.85$46.00$129.95$640.55
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