956204-53-8
4-METHOXY-3-(4-NITRO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID
Name
4-METHOXY-3-(4-NITRO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID
Formula
C12 H11 N3 O5
MolWeight
277.235
1Identification
【Name】
4-METHOXY-3-(4-NITRO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID
【CAS】
【MDL】
MFCD06653192
【English Synonyms】
【Formula】
C12 H11 N3 O5
【MolWeight】
277.235
【Inchi】
InChI=1S/C12H11N3O5/c1-20-11-3-2-8(12(16)17)4-9(11)6-14-7-10(5-13-14)15(18)19/h2-5,7H,6H2,1H3,(H,16,17)
【InChIKey】
InChIKey=SMTTWBNEGXXXDN-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1Cn2cc(cn2)[N+](=O)[O-])C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHOXY-3-(4-NITRO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID.cml
Quick Release
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Catalog No:4914947 up to kgs
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Business Type:Others
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Catalog No:B028504 5G
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Country/Region:United States
Business Type:Others
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Combi-Blocks Inc.
Catalog No:QA-7729 1G
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Country/Region:United States
Business Type:Others
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