2-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}-3-nitrobenzoic acid

Name: 2-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}-3-nitrobenzoic acid
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CAS No. 904814-87-5
Cat. No. CS-0126895
Purity≥98%
MDL No.MFCD06660444

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}-3-nitrobenzoic acid|CS-0126895

Structure of 904814-87-5

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General Information

CAS No. 904814-87-5
Cat. No. CS-0126895
Purity ≥98%
MDL No. MFCD06660444
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₂₁N₃O₆
Molecular Weight 351.35
Synonym(s) 4-(2-CARBOXY-6-NITRO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERTIER-BUTYL ESTER
SMILES O=C(O)C1=CC=CC([N+]([O-])=O)=C1N2CCN(C(OC(C)(C)C)=O)CC2

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 113.22
LogP 2.3501
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}-3-nitrobenzoic acid

CAS No. 904814-87-5

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