CS-1144176
2-(3-Bromo-2-cyano-4-methylphenyl)acetic acid
Manufacturer: ChemScene
CAS Number: 1804907-89-8
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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
C₁₀H₈BrNO₂
Molecular Weight
254.08
Synonyms
None
SMILES
N#CC1=C(Br)C(=CC=C1CC(=O)O)C
Tpsa
61.09
Logp
2.2563
H Acceptors
2
H Donors
1
Rotatable Bonds
2
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: C₁₀H₈BrNO₂
Molecular Weight: 254.08
Synonyms: None
SMILES: N#CC1=C(Br)C(=CC=C1CC(=O)O)C
Tpsa: 61.09
Logp: 2.2563
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₈BrNO₂
Molecular Weight:
254.08
Synonyms:
None
SMILES:
N#CC1=C(Br)C(=CC=C1CC(=O)O)C
Tpsa:
61.09
Logp:
2.2563
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₇F₂N₃O₄
Molecular Weight: 247.16
Synonyms: None
SMILES: O=C(O)CC1=C(N)C(=CN=C1C(F)F)N(=O)=O
Tpsa: 119.35
Logp: 1.1367
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇F₂N₃O₄
Molecular Weight:
247.16
Synonyms:
None
SMILES:
O=C(O)CC1=C(N)C(=CN=C1C(F)F)N(=O)=O
Tpsa:
119.35
Logp:
1.1367
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆BrF₂NO
Molecular Weight: 238.03
Synonyms: None
SMILES: FC(F)C=1C(Br)=NC=C(O)C1C
Tpsa: 33.12
Logp: 2.79572
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆BrF₂NO
Molecular Weight:
238.03
Synonyms:
None
SMILES:
FC(F)C=1C(Br)=NC=C(O)C1C
Tpsa:
33.12
Logp:
2.79572
H Acceptors:
2
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: C₈H₃ClF₅NO₃
Molecular Weight: 291.56
Synonyms: None
SMILES: O=C(O)C=1C=C(OC(F)(F)F)C(=NC1Cl)C(F)F
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₃ClF₅NO₃
Molecular Weight:
291.56
Synonyms:
None
SMILES:
O=C(O)C=1C=C(OC(F)(F)F)C(=NC1Cl)C(F)F
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A