CS-0544306
6-Chloro-4-((2-nitrobenzyl)sulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 866134-66-9
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₆H₁₃ClN₂O₇S
Molecular Weight
412.80
Synonyms
6-chloro-4-[(2-nitrophenyl)methanesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
SMILES
C1C(OC2=C(N1S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])C=C(C=C2)Cl)C(=O)O
Tpsa
127.05
Logp
2.4302
H Acceptors
6
H Donors
1
Rotatable Bonds
5
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₃ClN₂O₇S
Molecular Weight: 412.80
Synonyms: 6-chloro-4-[(2-nitrophenyl)methanesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
SMILES: C1C(OC2=C(N1S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])C=C(C=C2)Cl)C(=O)O
Tpsa: 127.05
Logp: 2.4302
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₃ClN₂O₇S
Molecular Weight:
412.80
Synonyms:
6-chloro-4-[(2-nitrophenyl)methanesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
SMILES:
C1C(OC2=C(N1S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])C=C(C=C2)Cl)C(=O)O
Tpsa:
127.05
Logp:
2.4302
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₅ClN₂O
Molecular Weight: 214.69
Synonyms: (6-Chloro-pyridin-3-ylmethyl)-(2-methoxy-ethyl)-methyl-amine
SMILES: CN(CCOC)CC1=CN=C(C=C1)Cl
Tpsa: 25.36
Logp: 1.8132
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₅ClN₂O
Molecular Weight:
214.69
Synonyms:
(6-Chloro-pyridin-3-ylmethyl)-(2-methoxy-ethyl)-methyl-amine
SMILES:
CN(CCOC)CC1=CN=C(C=C1)Cl
Tpsa:
25.36
Logp:
1.8132
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃N₃O₂
Molecular Weight: 207.23
Synonyms: None
SMILES: CN1C2=C(C=C(C(=C2)N)OC)N(C1=O)C
Tpsa: 62.18
Logp: 0.4678
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₃N₃O₂
Molecular Weight:
207.23
Synonyms:
None
SMILES:
CN1C2=C(C=C(C(=C2)N)OC)N(C1=O)C
Tpsa:
62.18
Logp:
0.4678
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₈F₃NO₂S
Molecular Weight: 287.26
Synonyms: None
SMILES: O=C1OC=2C=CC(N)=CC2C3=C1SC(C3)C(F)(F)F
Tpsa: 56.23
Logp: 2.9543
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₈F₃NO₂S
Molecular Weight:
287.26
Synonyms:
None
SMILES:
O=C1OC=2C=CC(N)=CC2C3=C1SC(C3)C(F)(F)F
Tpsa:
56.23
Logp:
2.9543
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0